data_2kwc_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 2kwc _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 ' 14' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.273 -0.269 . . . . 75.439999999999998 110.273 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -58.53 -21.4 52.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 73.540000000000006 109.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.48 -60.22 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 62.43 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -46.85 -25.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.430000000000007 110.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 t -81.42 -41.31 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 65.230000000000004 110.014 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -49.81 -34.91 21.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 110.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -79.2 -42.98 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 75.019999999999996 110.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.8 mt -63.38 -21.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 75.540000000000006 109.34 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -41.23 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.409999999999997 109.295 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.72 -28.29 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 70.239999999999995 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.3 mmt180 -86.35 -52.17 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 73.230000000000004 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 2.3 m-85 -137.49 78.4 38.15 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 110.996 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 65.230000000000004 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.62 14.7 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 72.239999999999995 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.517 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.7 mpt_? -107.06 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 75.310000000000002 110.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' VAL . 12.4 mt -146.47 90.52 5.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 64.129999999999995 109.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -75.01 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 72.209999999999994 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.568 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 5.7 t -85.78 131.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.040000000000006 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.626 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -106.67 93.51 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.5 109.262 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.7 t -80.77 157.32 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 70.109999999999999 108.344 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 108' ' ' THR . 23.9 mt-10 -136.41 120.1 17.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 110.286 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' NZ ' ' OG ' ' A' ' 39' ' ' SER . 2.9 tmtt? -40.49 141.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 74.030000000000001 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 108' ' ' THR . . . -99.01 110.16 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 70.030000000000001 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 13.3 pt-20 -55.78 -47.71 76.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.209999999999994 110.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 4.6 mmmt -40.56 -57.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 72.340000000000003 109.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' NZ ' ' A' ' 35' ' ' LYS . 2.5 p -50.72 176.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 110.04 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -128.47 15.1 6.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 75.25 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.435 HG12 ' CE ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -74.25 162.02 75.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 74.030000000000001 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 130.42 13.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 72.040000000000006 111.016 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.93 170.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 72.420000000000002 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 4.9 pt -110.2 -172.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 73.450000000000003 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -88.84 -49.72 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 55.049999999999997 109.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -149.29 164.67 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 74.409999999999997 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -112.45 101.96 10.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 75.140000000000001 110.258 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -158.74 131.88 7.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 75.329999999999998 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 64' ' ' ILE . 61.2 m-85 -147.62 106.76 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 73.219999999999999 111.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 11.1 mt -103.47 93.48 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 65.030000000000001 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.87 156.18 42.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.329999999999998 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.07 15.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.507 1.793 . . . . 75.420000000000002 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.42 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 73.109999999999999 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -120.53 -2.67 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.530000000000001 109.306 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 5.7 tt -92.58 156.57 17.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.019999999999996 109.362 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.9 p -113.2 164.86 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.352 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -50.49 -41.49 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 74.510000000000005 109.282 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.444 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.81 -60.84 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 74.019999999999996 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.464 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 13.4 mt-30 -52.2 -53.1 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 73.25 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 31' ' ' VAL . 37.4 t80 -47.17 -55.99 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 62.299999999999997 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.41 ' CG2' HG12 ' A' ' 78' ' ' ILE . 19.9 t -45.08 -31.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 73.450000000000003 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -80.56 -48.81 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.140000000000001 111.042 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 t -47.59 -53.56 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 72.230000000000004 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 49' ' ' TYR . 1.8 mp -55.18 -45.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 73.299999999999997 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' MET . 16.0 ttm180 -52.56 -20.51 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 72.510000000000005 110.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 11.0 mmmm -80.3 -47.56 14.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.400000000000006 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 5.7 mmp_? -57.06 -27.71 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.219999999999999 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.499 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.3 pt -107.91 -12.77 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 60.299999999999997 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 13.7 ptp 40.56 51.55 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 74.040000000000006 110.977 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 68' ' ' ILE . 8.9 mt -64.54 164.37 20.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 63.32 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.29 38.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 72.409999999999997 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.91 19.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 65.099999999999994 111.021 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -91.36 -18.02 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.349999999999994 110.264 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -90.22 176.33 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 73.109999999999999 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.06 111.82 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 50.119999999999997 109.286 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.499 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 7.7 tt -98.44 157.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 70.409999999999997 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 113' ' ' ASN . 47.2 m-85 -135.34 146.31 48.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 73.239999999999995 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 107' ' ' VAL . 9.9 mm -96.42 148.83 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.430000000000007 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 114' ' ' THR . 41.4 m-85 -139.92 141.73 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 110.954 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.643 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -132.67 133.79 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.607 ' N ' HD21 ' A' ' 81' ' ' ASN . 1.3 m-80 50.69 43.84 27.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 74.519999999999996 109.276 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.7 40.93 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 71.400000000000006 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -135.24 -173.74 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.530000000000001 110.425 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 79' ' ' PHE . 3.4 tt -141.24 93.51 8.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 60.049999999999997 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 158.82 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 65.450000000000003 111.018 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.789 . . . . 74.120000000000005 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.444 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -79.54 -21.39 45.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 72.209999999999994 110.373 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.79 -35.01 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 73.430000000000007 109.247 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.04 139.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 71.519999999999996 109.32 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tp -90.63 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 74.109999999999999 109.274 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.6 mmm -63.72 -12.8 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.409999999999997 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -88.52 -41.08 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 72.019999999999996 109.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.49 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 71.150000000000006 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.572 ' CG2' ' CD2' ' A' ' 98' ' ' HIS . 18.3 mm -64.79 -61.28 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 64.120000000000005 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.1 t80 -55.85 -24.85 39.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.79 -40.09 94.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.409999999999997 110.334 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.8 -0.74 23.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 70.329999999999998 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.643 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 80.5 m-70 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 75.439999999999998 109.583 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -52.73 145.2 12.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.32 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.41 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 1.9 t70 -100.72 180.0 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 73.540000000000006 109.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.37 -17.34 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 74.530000000000001 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -89.67 -15.05 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 64.019999999999996 109.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.6 -55.89 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 65.219999999999999 111.037 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.626 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -51.84 177.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 74.450000000000003 110.951 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.7 tp -116.94 157.57 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 75.209999999999994 109.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.79 101.12 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.349999999999994 111.026 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -126.49 163.94 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 70.150000000000006 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 77.1 m -147.42 136.5 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 53.520000000000003 110.422 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 109' ' ' TYR . 6.2 p90 -109.8 149.73 29.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 72.430000000000007 110.984 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -146.46 140.25 26.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 75.120000000000005 109.971 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.01 -16.42 32.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 50.32 110.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -106.25 157.85 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 75.549999999999997 110.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 38.8 t-20 -96.44 60.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.278 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.3 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 110.405 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.285 -0.265 . . . . 71.219999999999999 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -44.4 -44.37 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 73.030000000000001 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 18' ' ' SER . . . -64.89 -60.13 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.409999999999997 109.315 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 73.519999999999996 110.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' ALA . 28.3 t -82.74 -51.54 7.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 62.119999999999997 109.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -49.62 -27.09 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 75.200000000000003 110.302 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -81.87 -51.58 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.439999999999998 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.434 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 31.9 mt -60.82 -19.16 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 73.510000000000005 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.95 -37.02 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 63.149999999999999 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.3 -28.17 66.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 73.239999999999995 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.554 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.12 -49.13 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 110.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.1 m-85 -131.88 80.48 65.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.019999999999996 110.999 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.18 19.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 71.420000000000002 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -100.59 28.1 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 63.210000000000001 109.308 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 62.2 mmt-85 -125.25 -177.92 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.439999999999998 110.326 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 15.4 mt -147.99 91.22 4.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 72.450000000000003 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.0 90.45 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 71.310000000000002 111.008 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 105' ' ' LEU . 2.6 t -88.88 146.78 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 75.109999999999999 109.334 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -112.36 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 72.540000000000006 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.588 ' SG ' ' CE2' ' A' ' 109' ' ' TYR . 24.2 t -95.45 148.96 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 73.439999999999998 108.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -137.25 152.73 50.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 62.210000000000001 110.325 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.482 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 3.6 tmtt? -77.87 135.34 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 72.019999999999996 109.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.47 124.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 33.340000000000003 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.1 pt-20 -63.23 -47.78 81.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 74.420000000000002 110.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 6.5 mmmt -47.23 -41.36 18.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 73.5 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 177.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 73.430000000000007 110.001 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.81 22.15 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.040000000000006 109.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -91.13 157.31 43.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 71.120000000000005 109.326 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 138.06 22.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 75.310000000000002 110.973 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.69 169.42 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 72.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 8.9 pt -112.01 179.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 73.540000000000006 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -63.14 -62.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 72.439999999999998 109.326 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -152.87 -175.84 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 74.329999999999998 109.316 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.5 mtm-85 -110.4 101.91 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.200000000000003 110.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -158.76 104.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 74.129999999999995 109.262 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 76.3 m-85 -126.46 93.78 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 2.5 tp -95.46 94.82 8.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.150000000000006 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -112.56 155.52 43.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 74.209999999999994 109.291 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.15 15.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 75.530000000000001 110.996 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.3 17.12 6.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 73.439999999999998 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -114.11 -11.64 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 109.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 56' ' ' THR . 6.2 tt -85.78 156.56 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.540000000000006 109.347 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 12.0 p -113.69 167.22 10.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 110.386 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.7 -43.43 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.442 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -41.39 -62.7 1.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 72.25 110.956 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.461 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 5.2 mt-30 -45.42 -50.09 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 72.129999999999995 110.287 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.555 ' CE2' HD13 ' A' ' 64' ' ' ILE . 7.7 t80 -48.44 -48.01 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.150000000000006 110.977 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.0 t -51.87 -32.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 73.430000000000007 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -81.16 -50.46 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 110.982 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 t -46.87 -45.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 54.149999999999999 109.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.555 HD13 ' CE2' ' A' ' 60' ' ' PHE . 2.1 mp -64.78 -55.01 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 74.420000000000002 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' MET . 20.3 ttp180 -46.46 -24.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.530000000000001 110.313 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 64' ' ' ILE . 27.4 mmtp -79.63 -44.49 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 70.030000000000001 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.456 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 1.8 mmt-85 -62.6 -27.09 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 75.519999999999996 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.551 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.3 pt -107.83 -8.46 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 73.239999999999995 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' ARG . 12.4 ptp 39.61 54.13 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 74.150000000000006 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.6 mt -68.7 163.77 51.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 109.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 158.02 42.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 64.439999999999998 110.972 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.16 10.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 75.200000000000003 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -99.45 -17.2 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 72.150000000000006 110.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -91.69 176.94 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 74.530000000000001 109.258 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.22 110.36 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 73.519999999999996 109.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.559 HD11 ' CD1' ' A' ' 109' ' ' TYR . 10.5 tt -93.84 141.42 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 72.430000000000007 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 85.6 m-85 -109.46 165.87 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 72.340000000000003 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 84' ' ' LEU . 3.9 mm -122.58 134.87 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 75.209999999999994 109.264 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 84' ' ' LEU . 74.4 m-85 -130.81 131.93 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.209999999999994 110.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.52 ' CG2' ' ND1' ' A' ' 98' ' ' HIS . 1.5 p -135.23 140.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 64.549999999999997 109.267 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.465 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 2.0 m-80 49.54 32.93 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 73.209999999999994 109.326 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 64.23 36.87 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 74.409999999999997 109.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -137.32 -173.7 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 75.099999999999994 110.43 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -144.8 92.98 5.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 109.321 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.2 Cg_endo -75.0 169.11 23.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.759 . . . . 75.319999999999993 110.989 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 75.040000000000006 110.999 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.442 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 1.2 t -84.78 -19.94 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 62.43 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.38 42.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 64.5 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.86 139.75 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.349999999999994 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 tp -89.67 134.46 34.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 109.271 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.77 -15.83 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 75.140000000000001 110.945 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.2 p -81.79 -46.4 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.120000000000005 110.032 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.15 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.129999999999995 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.563 HG21 ' CD2' ' A' ' 98' ' ' HIS . 13.2 mm -69.02 -61.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 73.349999999999994 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 95' ' ' TYR . 2.2 t80 -59.41 -16.85 25.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 70.209999999999994 111.032 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -72.67 -38.82 67.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.519999999999996 110.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.58 -0.64 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 72.140000000000001 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.563 ' CD2' HG21 ' A' ' 94' ' ' ILE . 70.0 m-70 -108.41 -24.24 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 70.400000000000006 109.556 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -40.32 140.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 73.25 109.326 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.33 -179.96 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -72.86 -16.19 61.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 109.289 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -87.28 -20.51 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 73.040000000000006 109.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.17 -70.57 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 71.209999999999994 111.026 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 30' ' ' PRO . 1.8 m-85 -47.17 175.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 75.319999999999993 111.006 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 98' ' ' HIS . 7.7 tp -109.34 159.82 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 74.510000000000005 109.252 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.56 101.81 5.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 110.971 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.01 156.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 75.140000000000001 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.8 m -149.88 134.77 17.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.349999999999994 110.398 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.588 ' CE2' ' SG ' ' A' ' 33' ' ' CYS . 2.8 p90 -113.34 157.38 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 110.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.7 p -143.38 127.9 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.109999999999999 110.04 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -42.64 -27.13 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 70.319999999999993 111.012 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -106.41 162.46 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 75.239999999999995 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 11.5 t-20 -90.07 62.33 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 60.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.533 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 70.519999999999996 110.41 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 104' ' ' PHE . 5.4 ttm105 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.284 -0.265 . . . . 75.120000000000005 110.284 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -42.94 -55.1 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 74.349999999999994 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.48 -47.48 69.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 72.200000000000003 109.312 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -48.21 -47.17 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 75.109999999999999 110.265 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -67.13 -44.54 79.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 51.32 110.049 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.93 -27.18 17.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 71.040000000000006 110.301 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -79.65 -38.01 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 74.319999999999993 110.315 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mt -76.51 -22.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 73.439999999999998 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.07 -25.29 37.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 74.430000000000007 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -94.06 -15.55 24.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 71.530000000000001 109.334 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.74 -64.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 73.209999999999994 110.304 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.8 m-85 -120.44 80.2 29.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 73.329999999999998 111.0 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 75.120000000000005 110.992 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -95.99 16.12 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 70.310000000000002 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -115.54 179.79 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 74.409999999999997 110.339 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' VAL . 13.9 mt -150.19 90.35 4.4 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.230000000000004 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 74.430000000000007 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 t -91.72 130.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 72.109999999999999 109.278 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 3.5 mm -97.98 92.04 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 72.439999999999998 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.2 t -89.31 138.59 31.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 108.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.455 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 1.3 pt-20 -128.65 141.5 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.230000000000004 110.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 109' ' ' TYR . 2.4 tmtt? -76.66 143.1 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 74.319999999999993 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.18 134.12 34.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 74.319999999999993 109.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.72 -46.48 75.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 65.109999999999999 110.36 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.73 -28.17 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 71.230000000000004 109.289 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -176.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 75.150000000000006 109.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.34 15.95 4.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 74.230000000000004 109.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.36 154.52 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.230000000000004 109.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.61 13.4 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 55.43 110.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -63.38 170.89 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 64.430000000000007 110.286 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 3.1 pt -110.74 -175.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 63.439999999999998 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.28 -53.39 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.301 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -141.77 158.46 43.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 73.519999999999996 109.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CD ' ' HA ' ' A' ' 34' ' ' GLU . 28.3 mtm105 -107.94 101.89 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 75.340000000000003 110.328 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -158.74 124.47 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 71.439999999999998 109.283 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.477 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 92.9 m-85 -135.0 97.19 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 110.985 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 9.8 mt -94.32 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 74.420000000000002 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -113.24 155.65 44.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 72.400000000000006 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.497 1.788 . . . . 75.140000000000001 110.993 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 17.28 6.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 74.319999999999993 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -115.65 -9.05 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.549999999999997 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 56' ' ' THR . 6.9 tt -83.65 156.84 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 74.239999999999995 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -110.21 160.33 16.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 64.230000000000004 110.45 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.8 t -50.09 -50.01 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 73.530000000000001 109.295 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -61.09 1.45 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 64.109999999999999 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -43.21 -44.65 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 73.510000000000005 110.322 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CE1' HD11 ' A' ' 64' ' ' ILE . 4.5 t80 -55.32 -62.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 110.995 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -40.48 -32.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 72.409999999999997 109.299 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.84 -48.1 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 72.150000000000006 110.99 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' PHE . 2.6 t -45.88 -55.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 75.400000000000006 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 60' ' ' PHE . 2.3 mp -51.2 -52.14 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 74.510000000000005 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' MET . 22.7 ttm180 -45.55 -25.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 63.32 110.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -81.68 -42.69 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.445 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 1.3 mpt_? -60.77 -23.73 65.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.329999999999998 110.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.6 pt -116.51 -5.86 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 73.219999999999999 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.6 ptp 41.17 49.44 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 75.099999999999994 111.028 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -68.55 158.82 84.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 75.5 109.342 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.38 22.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 70.329999999999998 111.055 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.37 8.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.453 1.764 . . . . 73.409999999999997 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.78 -38.2 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 70.120000000000005 110.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.463 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 3.6 mttt -61.22 177.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 109.295 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.64 119.21 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 73.450000000000003 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.2 tt -112.36 154.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 109.302 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -140.21 155.1 47.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.349999999999994 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.462 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 3.3 mm -110.41 146.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 72.420000000000002 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.9 m-85 -137.53 121.59 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 75.120000000000005 111.013 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.568 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.0 OUTLIER -114.13 126.73 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 73.319999999999993 109.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 52.1 54.13 11.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 74.530000000000001 109.317 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t0 48.32 44.68 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 71.25 109.294 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -138.15 -173.63 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 72.319999999999993 110.38 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -146.45 92.5 5.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 75.109999999999999 109.318 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.05 36.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 74.209999999999994 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.72 22.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 60.039999999999999 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.4 -22.64 41.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 71.439999999999998 110.405 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.64 -34.21 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 73.310000000000002 109.273 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' HB3' ' CG1' ' A' ' 94' ' ' ILE . . . -40.54 137.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 74.420000000000002 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tp -89.55 137.29 32.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 73.319999999999993 109.308 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.7 mmm -63.91 -11.18 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 73.140000000000001 110.961 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -89.95 -42.59 11.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 72.540000000000006 109.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.13 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 61.109999999999999 109.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' A' ' 98' ' ' HIS . 16.2 mm -67.21 -61.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 75.140000000000001 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.8 t80 -56.57 -23.62 41.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 64.420000000000002 110.999 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.81 -41.0 92.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 72.219999999999999 110.255 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -105.32 -0.78 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.299999999999997 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.568 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 80.5 m-70 -112.03 -10.92 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.439999999999998 109.562 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.78 144.29 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 72.310000000000002 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 4.2 t70 -104.84 179.89 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 73.109999999999999 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -73.97 -15.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 74.140000000000001 109.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.84 12.51 31.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.305 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.6 -57.2 2.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 75.129999999999995 110.989 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 14' ' ' ARG . 3.7 m-85 -48.03 175.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 73.510000000000005 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 tp -123.08 122.43 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 73.230000000000004 109.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.39 118.88 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.540000000000006 111.018 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.489 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -142.54 163.33 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 74.120000000000005 109.315 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.489 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 6.6 m -141.85 134.39 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 63.240000000000002 110.378 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 35' ' ' LYS . 22.6 p90 -124.63 152.23 43.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 75.25 111.026 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -147.74 169.95 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 73.310000000000002 109.997 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.11 10.25 61.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 65.430000000000007 111.021 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -131.93 157.2 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 74.420000000000002 110.312 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -95.93 65.07 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.219999999999999 109.341 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.578 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 6.9 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.5 110.366 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.298 -0.26 . . . . 75.319999999999993 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -56.12 -38.28 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 75.150000000000006 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -53.04 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 71.120000000000005 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.66 -46.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 110.272 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -62.7 -45.39 92.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 71.109999999999999 110.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.9 mm-40 -50.73 -27.37 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 54.539999999999999 110.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 12.0 mtp-105 -79.91 -56.3 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 75.329999999999998 110.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.3 mt -59.72 -19.25 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.409999999999997 109.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.44 -32.05 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.340000000000003 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -86.56 -15.1 40.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 65.409999999999997 109.286 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.32 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.030000000000001 110.341 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.558 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 3.3 m-85 -127.44 77.68 75.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 62.520000000000003 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 73.319999999999993 111.019 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.37 13.29 27.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.219999999999999 109.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.407 ' CB ' HD12 ' A' ' 50' ' ' LEU . 23.6 mmt180 -109.99 -177.97 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 74.230000000000004 110.288 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 51' ' ' VAL . 4.1 mt -145.17 92.24 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 74.530000000000001 109.337 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.1 Cg_endo -74.98 88.8 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 70.420000000000002 110.978 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 3.1 t -85.79 149.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 70.400000000000006 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 104' ' ' PHE . 6.7 mm -122.78 92.07 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 74.030000000000001 109.313 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.582 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 23.3 t -88.54 150.43 23.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 53.140000000000001 108.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 108' ' ' THR . 7.2 mt-10 -136.18 140.73 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 74.120000000000005 110.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 1.1 tmtt? -74.11 134.76 42.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 72.329999999999998 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.08 116.0 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 71.450000000000003 109.312 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -54.87 -46.49 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 75.349999999999994 110.253 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -56.2 -29.82 61.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 75.540000000000006 109.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.18 179.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 110.031 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -129.08 22.14 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 62.039999999999999 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.64 154.75 42.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 75.239999999999995 109.326 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 126.5 10.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.505 1.792 . . . . 74.420000000000002 110.992 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.38 170.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 71.439999999999998 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 7.5 pt -114.45 170.86 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.420000000000002 109.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.91 -61.53 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.409999999999997 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -174.95 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 73.540000000000006 109.334 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.492 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 1.8 ptp85 -110.66 101.88 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 75.140000000000001 110.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -158.86 107.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 96.7 m-85 -127.77 93.75 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 71.030000000000001 111.017 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -93.61 92.31 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.98 154.61 44.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.230000000000004 109.35 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.26 14.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 75.420000000000002 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.67 18.88 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 65.049999999999997 109.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.55 -0.41 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 74.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 56' ' ' THR . 5.9 tt -90.66 156.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.409999999999997 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 12.2 p -110.42 161.67 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 71.340000000000003 110.405 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -50.36 -44.93 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 73.049999999999997 109.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -61.45 1.38 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 64.340000000000003 111.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -47.21 -41.68 18.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 74.319999999999993 110.317 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.511 ' CZ ' HG13 ' A' ' 31' ' ' VAL . 9.5 t80 -59.79 -35.95 75.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 65.150000000000006 110.957 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.13 -16.37 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 74.310000000000002 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -85.71 -63.27 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 74.329999999999998 111.011 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.2 m -44.82 -47.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 75.310000000000002 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.509 HD12 ' CD2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -57.44 -64.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 74.219999999999999 109.29 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.406 ' N ' HG21 ' A' ' 64' ' ' ILE . 16.3 ttm180 -44.84 -27.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -80.28 -43.68 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 71.400000000000006 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.459 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 9.3 mmt-85 -60.39 -26.72 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 74.109999999999999 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.4 pt -107.56 -8.99 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 74.120000000000005 109.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 7.5 ptp 40.7 51.15 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 74.319999999999993 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.3 mt -64.63 164.11 22.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.239999999999995 109.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.84 42.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 73.010000000000005 110.976 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 73.25 111.003 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -100.96 -15.01 17.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 75.439999999999998 110.354 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -94.5 179.1 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.275 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.09 112.56 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 74.319999999999993 109.275 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.439 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.3 tt -97.54 134.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 71.140000000000001 109.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 95.3 m-85 -111.82 157.77 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 73.129999999999995 110.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 109' ' ' TYR . 2.9 mm -113.33 142.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 74.040000000000006 109.262 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.625 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 1.9 m-85 -137.5 127.32 25.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 72.109999999999999 111.029 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 98' ' ' HIS . 1.0 OUTLIER -120.13 134.53 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.319999999999993 109.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 46.18 54.48 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 109.269 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 t70 48.85 46.54 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 70.450000000000003 109.299 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -140.59 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.230000000000004 110.39 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.625 ' CD1' ' CE2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -145.94 91.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 74.230000000000004 109.271 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.91 43.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.81 . . . . 71.019999999999996 110.992 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.53 36.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 75.340000000000003 111.027 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -74.15 -20.36 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 110.379 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.78 -29.34 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 73.140000000000001 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.7 137.99 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 71.549999999999997 109.279 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 tp -88.45 133.22 34.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 73.109999999999999 109.332 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 76.0 mmm -60.23 -14.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 72.310000000000002 110.953 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.7 p -82.0 -42.78 18.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 65.230000000000004 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.05 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.409999999999997 109.252 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.481 HG21 ' CD2' ' A' ' 98' ' ' HIS . 41.7 mm -60.31 -61.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 73.510000000000005 109.354 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.56 ' CD2' HD21 ' A' ' 105' ' ' LEU . 1.2 t80 -55.24 -29.61 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 74.540000000000006 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 72.239999999999995 110.357 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -110.88 -6.16 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 75.219999999999999 110.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.568 ' CE1' HG21 ' A' ' 80' ' ' VAL . 97.0 m-70 -115.58 13.91 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 70.310000000000002 109.595 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -74.62 139.87 43.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 74.430000000000007 109.322 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -99.2 179.61 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 109.291 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -63.27 -61.86 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 74.310000000000002 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.88 -22.82 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 73.230000000000004 109.284 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.5 -20.3 37.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 74.219999999999999 111.016 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.57 ' CE1' HG13 ' A' ' 32' ' ' ILE . 1.5 m-85 -58.61 170.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 64.299999999999997 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -114.42 134.98 54.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -106.67 105.33 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 73.319999999999993 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.459 ' CG1' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.65 155.15 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 75.519999999999996 109.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 56.7 m -155.86 135.64 12.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 73.239999999999995 110.413 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.582 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 1.8 p90 -110.12 -176.51 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 71.25 110.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.4 p -170.63 134.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 71.099999999999994 110.014 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.79 -20.65 6.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 64.140000000000001 110.961 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 113' ' ' ASN . 19.6 tp10 -106.94 160.11 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 74.329999999999998 110.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.484 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 24.1 t-20 -88.5 60.61 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 73.409999999999997 109.275 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.513 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.7 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 73.430000000000007 110.361 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.321 -0.252 . . . . 71.439999999999998 110.321 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -59.41 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 70.439999999999998 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.41 -53.8 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 64.450000000000003 109.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.98 -64.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.5 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -53.69 -32.94 53.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 72.420000000000002 109.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.69 -26.76 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 72.340000000000003 110.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.8 -56.85 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 71.299999999999997 110.286 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 15.2 mt -56.04 -21.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.099999999999994 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 26' ' ' PRO . . . -84.68 -40.18 17.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.329999999999998 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 75.019999999999996 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.91 -47.95 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 72.430000000000007 110.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 5.7 m-85 -126.33 71.64 71.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 110.96 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' CB ' ' O ' ' A' ' 22' ' ' ALA . 18.3 Cg_endo -75.0 -2.47 12.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 72.239999999999995 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.78 13.26 35.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 71.519999999999996 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.9 mmm-85 -113.97 -177.75 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.140000000000001 110.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.44 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 7.8 mt -144.62 90.83 6.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 73.5 109.264 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.99 92.65 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 73.420000000000002 111.004 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.431 HG13 ' CE2' ' A' ' 60' ' ' PHE . 3.6 t -85.66 135.53 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.3 mm -113.91 92.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 74.239999999999995 109.261 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.67 155.41 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 63.509999999999998 108.246 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.501 ' O ' ' CG2' ' A' ' 108' ' ' THR . 6.6 mm-40 -131.17 120.5 23.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 75.530000000000001 110.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -40.47 137.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 71.299999999999997 109.299 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.456 ' N ' ' CD ' ' A' ' 35' ' ' LYS . . . -103.61 108.97 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 72.549999999999997 109.339 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -42.71 -47.06 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 72.120000000000005 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -43.51 -44.52 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.409999999999997 109.308 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 110' ' ' SER . 48.4 t -48.81 169.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.5 109.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -126.93 4.71 6.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 72.140000000000001 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -78.6 163.0 63.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 75.219999999999999 109.26 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.25 25.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 72.140000000000001 111.02 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.95 164.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 74.010000000000005 110.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -111.18 -172.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 109.277 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.465 ' CB ' ' HD3' ' A' ' 46' ' ' LYS . 1.3 m-20 -85.32 -52.38 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.64 173.73 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 75.120000000000005 109.303 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.46 102.37 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 64.019999999999996 110.321 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -150.26 110.97 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 70.310000000000002 109.279 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CE1' HG13 ' A' ' 64' ' ' ILE . 49.7 m-85 -132.56 93.83 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 75.120000000000005 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.1 tp -98.38 95.02 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.010000000000005 109.287 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.36 153.54 44.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.304 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.35 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 65.140000000000001 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.45 18.78 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 73.109999999999999 109.28 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -120.15 -3.07 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.510000000000005 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 56' ' ' THR . 3.9 tt -88.62 155.54 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 75.540000000000006 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -104.32 160.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 65.439999999999998 110.444 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.0 t -52.41 -51.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 72.420000000000002 109.27 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.96 -52.23 2.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 55.140000000000001 111.023 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 14.5 mt-30 -50.67 -53.24 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 75.349999999999994 110.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.512 ' CE1' ' CD1' ' A' ' 64' ' ' ILE . 28.0 t80 -45.69 -58.49 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 74.400000000000006 111.028 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 76' ' ' ILE . 39.3 t -43.76 -31.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 2.2 t80 -79.1 -43.72 23.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.549999999999997 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -49.19 -54.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 74.439999999999998 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.512 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 1.8 mp -53.51 -48.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.321 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' MET . 9.8 ttp180 -48.51 -23.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 75.549999999999997 110.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -77.57 -43.26 32.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 75.340000000000003 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -61.96 -29.31 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 74.420000000000002 110.292 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.597 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.6 pt -107.79 -3.19 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 65.010000000000005 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.1 ptp 40.46 49.15 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 74.129999999999995 111.017 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' HG ' ' CD ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -69.64 156.12 92.26 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.540000000000006 109.299 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.55 1.816 . . . . 74.019999999999996 111.024 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.1 9.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 72.120000000000005 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -95.79 -36.53 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 73.519999999999996 110.299 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.83 174.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 64.209999999999994 109.317 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.24 107.4 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 55.109999999999999 109.333 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.597 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 1.3 tt -96.6 156.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 75.319999999999993 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -137.33 136.11 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 75.049999999999997 110.936 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 107' ' ' VAL . 4.9 mm -99.65 141.57 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 74.299999999999997 109.245 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 89.6 m-85 -127.24 111.46 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 75.25 110.979 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 83' ' ' THR . 30.1 t -94.81 121.45 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.540000000000006 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 41.4 50.44 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 75.019999999999996 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.99 43.33 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 74.310000000000002 109.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -142.0 154.98 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 73.310000000000002 110.437 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.33 92.64 44.99 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 74.030000000000001 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 171.36 18.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 71.430000000000007 111.048 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 158.89 42.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 64.219999999999999 111.013 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -74.14 -11.67 60.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 63.520000000000003 110.411 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.64 19.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 65.019999999999996 109.334 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.24 138.27 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.229999999999997 109.294 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 tp -89.28 133.48 34.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 75.400000000000006 109.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.8 mmm -62.59 -12.09 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 73.209999999999994 110.974 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.5 p -82.23 -43.69 17.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.409999999999997 110.018 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.72 42.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 72.040000000000006 109.284 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.545 HG21 ' CD2' ' A' ' 98' ' ' HIS . 17.4 mm -67.91 -61.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.409999999999997 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 4.4 t80 -57.64 -23.69 52.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 75.329999999999998 111.035 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.11 -40.14 94.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.349999999999994 110.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.27 -0.71 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 71.340000000000003 110.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.545 ' CD2' HG21 ' A' ' 94' ' ' ILE . 81.3 m-70 -112.81 -7.89 13.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 109.587 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -53.6 135.82 39.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 74.310000000000002 109.318 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.464 ' CG ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -80.31 -179.99 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 109.347 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -82.05 -3.29 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.219999999999999 109.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -110.24 6.31 22.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 64.420000000000002 109.323 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.57 -64.4 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 54.119999999999997 111.018 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -45.95 172.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 75.530000000000001 111.003 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 99' ' ' LYS . 8.7 tp -115.61 125.28 52.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.109999999999999 109.279 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.464 ' CD1' ' CG ' ' A' ' 100' ' ' ASP . 7.5 m-85 -94.3 113.8 25.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 108' ' ' THR . 1.5 p -143.87 164.55 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 74.420000000000002 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 85.9 m -141.01 133.29 28.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 65.040000000000006 110.434 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 109' ' ' TYR . 4.2 p90 -109.64 144.03 38.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 63.439999999999998 110.955 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 39' ' ' SER . 79.9 p -147.03 143.86 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 71.219999999999999 110.021 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.423 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -66.17 -16.83 65.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 51.100000000000001 111.008 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 113' ' ' ASN . 15.2 tp10 -108.53 160.27 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 73.430000000000007 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 13.2 t-20 -90.34 64.8 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 73.230000000000004 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.573 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.9 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 74.150000000000006 110.344 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CD ' ' OH ' ' A' ' 106' ' ' TYR . 4.7 ptp85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.266 -0.272 . . . . 74.219999999999999 110.266 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 74.129999999999995 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -71.53 -58.53 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.150000000000006 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -39.02 -56.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.209999999999994 110.328 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 52.3 p -50.32 -42.73 53.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.310000000000002 109.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ALA . 5.0 mm-40 -63.0 -26.75 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 71.239999999999995 110.252 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -78.97 -53.59 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 63.329999999999998 110.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 23.6 mt -56.86 -18.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 63.340000000000003 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.19 -39.99 18.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 71.140000000000001 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.25 -34.77 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 72.209999999999994 109.261 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.47 -51.41 5.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 74.230000000000004 110.266 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.3 m-85 -125.83 71.95 68.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 111.018 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.5 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.9 -5.32 16.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 72.349999999999994 111.02 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -93.94 -5.52 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 74.099999999999994 109.281 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.1 mpt_? -96.49 -177.85 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 65.549999999999997 110.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.4 mt -146.02 91.64 5.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 74.109999999999999 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 74.25 111.026 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.477 ' CG1' ' CG1' ' A' ' 107' ' ' VAL . 14.0 t -104.0 139.33 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 62.420000000000002 109.322 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -103.02 92.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.439999999999998 109.323 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.4 t -81.29 126.19 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.010000000000005 108.328 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' O ' ' CG2' ' A' ' 108' ' ' THR . 26.6 mt-10 -118.89 118.81 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 72.510000000000005 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 109' ' ' TYR . 0.8 OUTLIER -63.34 150.45 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 73.040000000000006 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.75 115.66 28.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 64.239999999999995 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -49.82 -50.14 46.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 110.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -41.81 -32.33 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 74.030000000000001 109.273 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -59.41 -179.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 73.239999999999995 109.984 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -125.89 4.88 7.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 73.140000000000001 109.258 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.88 154.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 74.019999999999996 109.282 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 121.83 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 72.450000000000003 111.044 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -57.29 170.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 75.040000000000006 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 4.1 pt -109.21 170.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 72.329999999999998 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.92 -56.55 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -138.37 158.16 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 72.540000000000006 109.319 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.2 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 74.329999999999998 110.344 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -158.8 123.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 74.019999999999996 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 37.4 m-85 -136.5 104.59 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.140000000000001 111.018 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.6 tp -99.71 95.6 7.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 73.510000000000005 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -110.56 153.7 43.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 74.340000000000003 109.299 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.51 14.38 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.476 1.777 . . . . 75.530000000000001 111.05 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.84 18.47 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 64.439999999999998 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.36 -1.8 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 74.239999999999995 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 6.4 tt -94.48 156.15 16.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 72.25 109.251 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.454 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 14.7 p -115.27 167.91 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 71.230000000000004 110.394 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.14 -43.68 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.540000000000006 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.473 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.12 -61.1 1.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 73.040000000000006 111.022 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 10.5 mt-30 -52.13 -44.28 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 71.109999999999999 110.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.85 -48.97 59.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.340000000000003 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.2 t -60.18 -21.93 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 72.420000000000002 109.266 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -82.71 -35.56 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 72.310000000000002 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 5.6 t -60.69 -57.9 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 75.209999999999994 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CG2' HD13 ' A' ' 68' ' ' ILE . 2.9 mp -49.84 -55.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 75.420000000000002 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.5 ttp85 -42.01 -32.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -81.17 -43.47 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 74.049999999999997 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.447 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -60.24 -26.27 66.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.200000000000003 110.266 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.477 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.1 pt -113.79 -4.63 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 65.030000000000001 109.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.8 ptp 40.69 51.56 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 63.119999999999997 110.968 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.92 154.15 84.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 72.319999999999993 109.268 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.85 21.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 74.129999999999995 110.968 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.02 9.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 64.530000000000001 111.03 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -95.62 -30.2 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 74.019999999999996 110.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 168.25 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 75.450000000000003 109.351 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.71 107.27 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 109.314 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.477 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 3.4 tt -109.99 149.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 74.349999999999994 109.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -142.66 141.98 31.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.432 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.0 mm -97.64 156.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.277 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 43.5 m-85 -145.27 146.86 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.019999999999996 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.616 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -137.25 129.62 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 74.019999999999996 109.284 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.587 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 5.7 m-80 54.82 40.65 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 63.409999999999997 109.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 63.17 39.09 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.248 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -133.85 -173.73 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 74.129999999999995 110.372 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' A' ' 79' ' ' PHE . 2.5 tt -140.53 95.47 8.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 73.200000000000003 109.34 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.445 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.99 158.64 42.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 64.219999999999999 110.98 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.41 14.56 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 71.010000000000005 111.014 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.473 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -84.68 -19.46 32.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 72.310000000000002 110.423 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.95 -34.12 44.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 51.520000000000003 109.274 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.75 139.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 73.310000000000002 109.274 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 tp -91.84 138.62 31.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 73.340000000000003 109.312 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.8 mmm -64.27 -12.6 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 74.040000000000006 110.978 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -89.0 -42.54 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.219999999999999 110.011 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.47 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 73.019999999999996 109.241 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.7 mm -66.82 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 71.219999999999999 109.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.4 t80 -56.5 -25.6 51.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 71.519999999999996 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.84 -41.29 99.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 75.310000000000002 110.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -106.21 -0.72 24.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 72.549999999999997 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.616 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 86.0 m-70 -113.69 -1.42 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 73.540000000000006 109.599 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.85 137.89 58.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 74.140000000000001 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.32 -179.98 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 74.510000000000005 109.301 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.6 -31.39 71.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 74.409999999999997 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -27.09 58.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.219999999999999 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.6 -48.77 0.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 71.439999999999998 110.989 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.496 ' CE1' HD11 ' A' ' 32' ' ' ILE . 3.6 m-85 -50.7 177.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 73.209999999999994 111.021 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.439 ' CD2' HG21 ' A' ' 31' ' ' VAL . 8.2 tp -120.98 125.84 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 73.239999999999995 109.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.407 ' OH ' ' CD ' ' A' ' 14' ' ' ARG . 25.0 m-85 -98.8 99.63 10.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 111.015 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -122.88 163.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 74.420000000000002 109.29 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.494 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 45.1 m -150.08 142.13 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 110.372 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 35' ' ' LYS . 13.9 p90 -129.97 170.87 13.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 75.409999999999997 111.002 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.4 t -164.37 170.27 16.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 72.409999999999997 110.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.63 3.0 65.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 75.420000000000002 110.998 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -122.36 156.57 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 75.099999999999994 110.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -91.54 46.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 74.120000000000005 109.304 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.577 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 3.0 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 74.010000000000005 110.424 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.288 -0.264 . . . . 74.319999999999993 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -77.46 -29.61 52.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 74.540000000000006 109.322 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -76.72 -62.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 109.316 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -39.83 -41.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 73.510000000000005 110.348 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ILE . 2.8 p -59.87 -49.49 77.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.430000000000007 109.985 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.5 mm-40 -45.74 -34.02 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 74.400000000000006 110.253 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -78.61 -35.82 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 73.439999999999998 110.251 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' SER . 19.3 mt -71.14 -19.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 75.340000000000003 109.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 -35.31 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.420000000000002 109.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -71.0 -43.4 68.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 109.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 25' ' ' PHE . 13.6 tpt180 -78.05 -55.14 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 73.230000000000004 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.617 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -118.49 78.95 15.22 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 111.002 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.435 1.755 . . . . 72.510000000000005 110.98 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -126.51 46.86 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.109999999999999 109.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 28.6 mmt-85 -132.38 175.9 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 73.010000000000005 110.251 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' VAL . 2.3 mt -142.13 90.61 8.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 74.530000000000001 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.453 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 71.549999999999997 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.78 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 74.450000000000003 109.3 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.619 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -114.38 91.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 49.7 t -95.1 157.17 16.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 73.019999999999996 108.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -141.82 119.11 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 63.039999999999999 110.288 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.32 143.31 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 73.329999999999998 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.34 127.49 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.230000000000004 109.279 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.23 -27.37 67.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 110.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -73.66 -30.11 62.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 75.450000000000003 109.244 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -55.04 174.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 75.439999999999998 110.009 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.95 15.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 73.310000000000002 109.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.59 155.47 48.3 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 74.439999999999998 109.329 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.27 25.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 65.25 111.054 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -60.62 160.42 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 71.329999999999998 110.298 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 9.3 pt -98.4 -174.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 73.319999999999993 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -54.24 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 75.209999999999994 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -149.76 -177.56 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 72.310000000000002 109.316 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.44 101.68 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 75.5 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 13.0 ttpt -158.99 115.25 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 74.540000000000006 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 98.4 m-85 -128.84 93.75 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 74.140000000000001 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 11.6 mt -98.41 92.79 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 74.25 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.38 154.34 43.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 75.299999999999997 109.29 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.16 14.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.748 . . . . 62.109999999999999 111.002 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.91 19.12 5.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 75.450000000000003 109.257 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -120.83 -2.25 9.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 63.530000000000001 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 56' ' ' THR . 6.9 tt -89.18 156.7 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.400000000000006 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.472 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 14.0 p -111.71 162.76 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 74.540000000000006 110.419 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.62 -46.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 74.349999999999994 109.253 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -63.19 1.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 62.009999999999998 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -43.85 -52.31 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 64.219999999999999 110.287 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 64' ' ' ILE . 13.6 t80 -44.69 -60.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 65.340000000000003 110.997 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.1 t -40.56 -33.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 75.439999999999998 109.285 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -82.47 -42.98 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 111.021 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.8 t -48.69 -44.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 73.049999999999997 109.277 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.567 HD11 ' CE2' ' A' ' 60' ' ' PHE . 1.8 mp -65.21 -52.38 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 73.230000000000004 109.29 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 3.2 tmm_? -46.47 -24.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 75.230000000000004 110.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -79.02 -44.17 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 71.209999999999994 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 4.6 mmp_? -58.41 -29.77 66.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 75.230000000000004 110.313 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.464 ' CD1' HD12 ' A' ' 76' ' ' ILE . 3.1 pt -107.57 -9.6 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 73.25 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 18.3 ptp 40.99 49.33 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 74.209999999999994 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' HG ' ' CD ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -65.64 164.25 27.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 73.510000000000005 109.342 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.72 26.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 75.140000000000001 111.007 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 70.349999999999994 110.996 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.52 -39.37 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.409999999999997 110.314 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 16.5 mttp -62.64 176.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.400000000000006 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.62 106.43 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 70.340000000000003 109.268 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 109' ' ' TYR . 5.9 tt -102.58 148.99 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 74.299999999999997 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.54 151.16 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 75.120000000000005 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 84' ' ' LEU . 2.8 mm -107.81 139.76 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CE2' HD12 ' A' ' 84' ' ' LEU . 2.9 m-85 -132.03 124.81 30.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 111.065 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.401 ' O ' ' CG2' ' A' ' 83' ' ' THR . 1.4 p -106.26 131.94 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 109.266 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.536 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 1.8 m-80 45.6 62.61 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 72.340000000000003 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 42.34 44.86 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 71.099999999999994 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.501 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -144.63 -173.68 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 110.396 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 79' ' ' PHE . 1.1 tp -148.32 97.66 3.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 70.200000000000003 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.349999999999994 111.012 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.46 35.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 62.299999999999997 110.981 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 t -79.72 -5.92 56.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 110.362 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.74 -31.33 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 64.310000000000002 109.289 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.52 139.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 109.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 tp -89.41 132.46 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 70.329999999999998 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -61.58 -15.72 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 72.349999999999994 110.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.4 p -85.37 -39.72 17.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 62.43 110.035 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.76 62.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 74.409999999999997 109.286 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.566 HG22 ' CD2' ' A' ' 98' ' ' HIS . 16.9 mm -68.77 -61.37 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 73.340000000000003 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.2 t80 -55.95 -23.72 33.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 71.409999999999997 111.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.09 -41.46 90.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 74.030000000000001 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -103.53 -4.08 24.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.400000000000006 110.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' CD2' HG22 ' A' ' 94' ' ' ILE . 50.2 m-70 -108.21 -11.81 15.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 75.25 109.622 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -47.94 143.44 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.310000000000002 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.4 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 6.0 t70 -93.71 179.97 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.266 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -74.64 -28.12 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.340000000000003 109.328 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -28.37 46.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 70.510000000000005 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.67 -63.65 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 74.140000000000001 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.619 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.8 m-85 -48.25 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 73.409999999999997 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.5 tp -115.22 163.03 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 73.099999999999994 109.265 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -127.7 114.65 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.319999999999993 111.001 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -139.25 158.98 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 64.310000000000002 109.315 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.409 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 24.2 m -148.65 135.79 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.319999999999993 110.37 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.594 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 3.8 p90 -124.74 168.92 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 74.010000000000005 111.053 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.0 p -156.91 160.24 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 72.310000000000002 110.003 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.13 -8.1 47.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 72.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -116.1 156.47 26.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.786 . . . . 71.400000000000006 110.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -89.25 45.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 73.340000000000003 109.304 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.319999999999993 110.423 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.324 -0.25 . . . . 74.0 110.324 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -40.26 -31.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 74.140000000000001 109.322 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -62.83 -57.99 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 54.350000000000001 109.276 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -40.88 -34.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 110.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.86 -48.29 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 74.409999999999997 110.015 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 35.2 mm-40 -50.31 -37.4 36.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 73.129999999999995 110.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -78.66 -38.01 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 62.350000000000001 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.2 mt -68.7 -21.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 73.519999999999996 109.33 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.36 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 71.409999999999997 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.08 -18.75 49.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 71.129999999999995 109.322 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 15.8 tpt180 -108.23 -61.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 74.349999999999994 110.306 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 2.3 m-85 -124.7 75.77 64.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.409999999999997 111.005 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 73.409999999999997 111.041 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -102.77 12.12 36.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 72.540000000000006 109.295 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.4 mpt_? -104.0 178.09 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 74.299999999999997 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.0 mt -147.78 91.07 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.549999999999997 109.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.99 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 73.439999999999998 111.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' CG1' ' CZ ' ' A' ' 60' ' ' PHE . 3.8 t -85.72 138.59 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 74.140000000000001 109.307 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.48 96.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 74.129999999999995 109.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.73 152.17 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 62.329999999999998 108.322 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 108' ' ' THR . 9.7 mp0 -131.26 120.1 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.5 110.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.574 ' H ' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -40.29 139.32 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 73.540000000000006 109.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CD ' ' A' ' 35' ' ' LYS . . . -102.51 110.89 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 51.520000000000003 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.83 -42.11 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.409999999999997 110.258 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -48.28 -36.78 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.209999999999994 109.322 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.34 148.11 51.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 62.520000000000003 109.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.77 13.67 33.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 72.319999999999993 109.238 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -82.66 162.75 54.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 75.329999999999998 109.273 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 144.15 29.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.439 1.758 . . . . 75.340000000000003 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.92 170.92 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 65.530000000000001 110.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 3.4 pt -114.24 172.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 75.439999999999998 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -49.75 15.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 65.450000000000003 109.299 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -150.75 158.16 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 109.313 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.574 ' NH2' ' H ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -115.83 104.38 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.450000000000003 110.267 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -158.67 114.37 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.519999999999996 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.8 m-85 -134.12 116.07 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 64.219999999999999 110.998 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 4.6 mt -104.49 97.63 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 74.319999999999993 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 153.46 43.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.450000000000003 109.251 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.38 14.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 70.400000000000006 110.972 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.9 18.13 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 71.030000000000001 109.262 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -124.53 1.96 8.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.540000000000006 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 56' ' ' THR . 2.4 tt -95.23 155.2 16.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 63.210000000000001 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -101.44 160.41 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.010000000000005 110.383 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' PHE . 84.3 t -52.57 -45.59 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 65.409999999999997 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.38 -56.47 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 111.021 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.462 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 4.7 mt-30 -48.56 -40.17 26.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 64.510000000000005 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CZ ' ' CG1' ' A' ' 31' ' ' VAL . 3.5 t80 -64.18 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.019999999999996 110.982 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.6 t -74.31 -16.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 74.450000000000003 109.268 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.06 -63.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 72.430000000000007 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.0 m -43.43 -55.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 73.409999999999997 109.301 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -48.99 -55.16 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 73.420000000000002 109.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.2 tpp85 -45.27 -27.94 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 73.239999999999995 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.72 -42.67 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 1.4 mmt-85 -60.74 -25.34 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 73.140000000000001 110.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.5 pt -112.64 -6.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 72.329999999999998 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.8 ptp 41.46 48.95 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 74.150000000000006 110.976 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.1 mt -65.4 164.19 26.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 75.129999999999995 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.28 42.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 74.019999999999996 110.979 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.21 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 72.510000000000005 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -101.61 -15.06 17.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 71.209999999999994 110.302 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -93.88 177.13 6.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 75.030000000000001 109.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.51 120.85 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 72.030000000000001 109.275 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.2 tt -95.54 143.89 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 71.120000000000005 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -116.63 147.92 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 65.019999999999996 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.449 ' CG2' HG23 ' A' ' 107' ' ' VAL . 2.8 mm -108.57 135.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.040000000000006 109.29 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.694 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 3.1 m-85 -126.92 124.75 40.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 72.420000000000002 111.019 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.569 HG22 ' CE1' ' A' ' 98' ' ' HIS . 1.0 OUTLIER -119.39 136.85 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.450000000000003 109.289 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 44.71 53.97 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 75.519999999999996 109.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 48.81 45.64 22.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.120000000000005 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -138.64 -173.62 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.430000000000007 110.392 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.694 ' CD1' ' CE2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -143.31 91.4 6.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 71.120000000000005 109.27 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.13 43.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.79 . . . . 75.219999999999999 111.024 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.99 40.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 74.030000000000001 111.056 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.04 -8.2 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 110.434 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.53 -24.45 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' A' ' 94' ' ' ILE . . . -49.55 137.3 15.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 74.540000000000006 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -86.16 136.47 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 109.296 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.4 mmm -65.95 -9.2 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 75.25 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.7 p -88.14 -41.63 12.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 72.299999999999997 110.017 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.76 -33.22 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 71.530000000000001 109.257 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.488 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.8 mm -66.67 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.439999999999998 109.283 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 1.9 t80 -59.58 -25.51 64.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -63.03 -37.06 85.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 73.099999999999994 110.267 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -108.16 -7.69 15.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 73.040000000000006 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.569 ' CE1' HG22 ' A' ' 80' ' ' VAL . 84.5 m-70 -106.7 3.25 26.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 109.582 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -71.08 130.99 42.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 73.030000000000001 109.289 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -100.52 -179.98 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 73.310000000000002 109.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -56.45 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 73.510000000000005 109.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -40.48 -48.04 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 73.540000000000006 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -37.39 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 72.019999999999996 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -67.32 170.59 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 74.120000000000005 111.031 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.469 HD12 ' CB ' ' A' ' 98' ' ' HIS . 7.2 tp -107.96 126.12 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 75.430000000000007 109.273 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -96.92 108.61 21.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 73.510000000000005 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -136.84 163.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 71.319999999999993 109.327 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 29.5 m -144.59 134.74 24.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 110.415 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 109' ' ' TYR . 5.6 p90 -105.07 146.92 28.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 75.010000000000005 111.033 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.7 p -151.74 122.6 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 109.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -44.52 -32.97 3.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 74.230000000000004 111.001 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -92.88 163.36 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 72.439999999999998 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -90.71 45.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 70.230000000000004 109.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.4 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.349999999999994 110.386 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.449 ' NH1' ' OH ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.345 -0.243 . . . . 75.109999999999999 110.345 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 14' ' ' ARG . 16.8 tttp -81.55 -32.14 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 72.329999999999998 109.304 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.47 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 73.239999999999995 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -53.94 49.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 75.530000000000001 110.34 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -54.09 -32.4 54.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 70.310000000000002 110.035 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 72.319999999999993 110.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' ASP . 65.9 mtp180 -78.62 -59.94 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 72.329999999999998 110.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.457 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 11.5 mt -51.42 -22.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 72.219999999999999 109.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.74 -34.2 21.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 72.239999999999995 109.247 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 6.1 t70 -72.87 -29.75 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.230000000000004 109.257 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.6 -52.3 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 74.109999999999999 110.259 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.5 m-85 -129.55 79.52 73.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 72.209999999999994 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -0.31 9.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 75.230000000000004 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -102.63 18.72 20.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -119.13 179.15 4.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.310000000000002 110.325 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.463 HG23 ' CG ' ' A' ' 95' ' ' TYR . 4.0 mt -144.29 93.37 5.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 75.5 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.457 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 92.77 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 74.239999999999995 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 107' ' ' VAL . 43.4 t -89.98 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 62.329999999999998 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.482 HG12 ' CD1' ' A' ' 104' ' ' PHE . 5.9 mm -116.46 91.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 75.109999999999999 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.1 t -70.24 157.33 37.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 60.140000000000001 108.269 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 29.3 mm-40 -151.81 124.55 8.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 73.349999999999994 110.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.92 138.25 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 109.253 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.34 118.07 17.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 70.209999999999994 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.15 -40.92 67.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 72.439999999999998 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -55.62 -49.36 73.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 71.519999999999996 109.247 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.72 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.150000000000006 109.992 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -131.85 24.13 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 63.329999999999998 109.311 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.453 ' CD1' ' CE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -80.92 162.93 58.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 62.049999999999997 109.285 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 72.129999999999995 110.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 171.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 71.329999999999998 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 3.9 pt -117.39 175.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 73.519999999999996 109.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.14 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.329999999999998 109.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -153.5 -168.58 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 72.409999999999997 109.342 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 5.3 ptt180 -114.93 101.4 8.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 74.040000000000006 110.269 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -159.36 106.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.099999999999994 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -142.29 100.95 3.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 111.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -78.78 92.22 4.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 74.099999999999994 109.284 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' A' ' 60' ' ' PHE . 3.8 t -90.21 126.65 56.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 74.409999999999997 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.0 173.02 15.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.439 1.758 . . . . 74.299999999999997 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.57 7.86 18.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -110.95 -20.04 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 75.409999999999997 109.266 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' CD2' ' CG1' ' A' ' 51' ' ' VAL . 2.0 tt -77.97 155.24 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 75.25 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.2 p -115.53 173.19 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 75.5 110.425 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.54 -53.56 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 74.239999999999995 109.335 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.34 -62.19 1.9 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 64.230000000000004 110.968 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -45.66 -44.76 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 74.310000000000002 110.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 51' ' ' VAL . 4.7 t80 -56.71 -35.24 68.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 71.340000000000003 110.987 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 t -71.78 -16.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 109.354 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.14 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 74.310000000000002 111.058 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.7 m -44.29 -54.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 75.219999999999999 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -48.24 -57.95 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.120000000000005 109.285 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.5 ttm180 -42.5 -27.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 75.530000000000001 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -78.44 -47.45 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 75.329999999999998 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.456 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -57.14 -26.87 61.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.450000000000003 110.299 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.571 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.5 pt -107.16 -13.26 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 73.340000000000003 109.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.474 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.4 ptp 41.4 49.28 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 110.966 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 68' ' ' ILE . 9.0 mt -64.66 164.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 71.030000000000001 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.84 41.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 74.099999999999994 110.969 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.91 11.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 73.510000000000005 111.002 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -99.16 -13.21 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 71.209999999999994 110.325 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -96.85 165.98 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.46 106.19 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 54.109999999999999 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.571 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 7.0 tt -91.14 143.86 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 72.340000000000003 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 109' ' ' TYR . 91.4 m-85 -118.47 162.74 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.439999999999998 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 109' ' ' TYR . 11.2 mm -119.16 128.07 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 75.219999999999999 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 84' ' ' LEU . 79.8 m-85 -120.24 135.73 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 63.130000000000003 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.517 ' CG2' ' ND1' ' A' ' 98' ' ' HIS . 1.6 p -133.84 138.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 74.299999999999997 109.351 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.402 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 2.0 m-80 51.78 29.3 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 74.239999999999995 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 67.99 34.75 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 73.540000000000006 109.332 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.11 -173.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 71.420000000000002 110.439 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -144.68 93.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 73.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.441 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.0 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 73.140000000000001 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 170.49 20.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 73.310000000000002 111.045 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.02 -19.79 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 73.030000000000001 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.89 -27.61 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.209999999999994 109.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.47 ' HB1' ' CD1' ' A' ' 94' ' ' ILE . . . -42.25 127.9 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 72.219999999999999 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -78.24 127.49 32.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 72.019999999999996 109.29 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.421 ' N ' HD11 ' A' ' 90' ' ' LEU . 87.5 mmm -55.89 -17.06 5.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.409999999999997 111.043 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.1 p -77.05 -46.8 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 73.010000000000005 109.962 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -26.92 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 61.340000000000003 109.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.516 HG23 ' CD2' ' A' ' 98' ' ' HIS . 22.6 mm -70.9 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 74.420000000000002 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.497 ' O ' ' CB ' ' A' ' 99' ' ' LYS . 41.2 t80 -60.31 -17.34 42.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.75 -38.82 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 73.319999999999993 110.271 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -103.03 -3.0 26.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 71.519999999999996 110.357 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' CG2' ' A' ' 80' ' ' VAL . 60.9 m-70 -105.81 -31.15 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 74.5 109.601 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -40.4 135.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.530000000000001 109.271 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -103.08 179.94 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 109.308 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -66.73 -16.72 64.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 73.219999999999999 109.29 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.21 -17.79 36.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.219999999999999 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.94 -58.16 1.23 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.482 ' CD1' HG12 ' A' ' 32' ' ' ILE . 2.3 m-85 -49.37 175.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 73.150000000000006 110.962 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.3 tp -119.46 127.1 52.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 64.439999999999998 109.258 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 23.3 m-85 -98.87 118.59 35.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 72.099999999999994 111.025 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -142.66 154.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.340000000000003 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 5.1 m -150.48 135.94 18.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 72.329999999999998 110.412 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.468 ' CD1' HD12 ' A' ' 76' ' ' ILE . 2.6 p90 -109.64 173.09 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 111.002 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 112' ' ' GLU . 65.7 p -160.42 124.12 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 63.049999999999997 109.978 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -41.12 -27.82 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 64.109999999999999 110.967 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 110' ' ' SER . 10.4 tt0 -113.91 157.02 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 71.120000000000005 110.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.417 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 5.3 t-20 -85.38 63.29 8.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 72.430000000000007 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 71.329999999999998 110.427 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.284 -0.265 . . . . 75.239999999999995 110.284 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -27.96 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 74.319999999999993 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -77.58 -63.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 75.439999999999998 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -43.15 -38.23 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.140000000000001 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 p -64.62 -42.82 95.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 71.430000000000007 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' ALA . 29.0 mm-40 -53.36 -28.1 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.450000000000003 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -78.9 -39.57 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 54.219999999999999 110.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.9 mt -76.59 -19.64 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 72.329999999999998 109.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.45 -28.37 31.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 64.25 109.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.02 -15.46 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.099999999999994 109.308 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 19.9 tpt180 -97.31 -62.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.239999999999995 110.263 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 3.9 m-85 -124.15 76.87 60.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 73.109999999999999 110.975 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.03 9.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 71.310000000000002 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -101.48 -6.4 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 73.400000000000006 109.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.465 ' CB ' HD12 ' A' ' 50' ' ' LEU . 16.2 mmt180 -92.86 -177.83 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 74.040000000000006 110.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.482 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 5.0 mt -145.55 93.14 5.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.109999999999999 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.564 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -74.97 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 75.209999999999994 111.028 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.528 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 25.6 t -85.7 135.57 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 74.019999999999996 109.353 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.605 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.2 mm -111.18 91.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 75.329999999999998 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -72.22 157.34 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 108.306 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 108' ' ' THR . 20.0 mt-10 -136.44 118.64 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.219999999999999 110.315 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 39' ' ' SER . 1.4 tmtt? -47.89 141.06 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 74.219999999999999 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.25 117.02 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 64.420000000000002 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.42 -53.79 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 73.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -44.21 -40.22 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 75.209999999999994 109.331 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 2.3 t -49.01 158.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 62.020000000000003 110.038 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.54 14.16 21.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 75.299999999999997 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.439 HD13 ' CE1' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -93.46 161.47 30.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 71.200000000000003 109.32 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.94 35.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.44 1.758 . . . . 71.230000000000004 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.42 169.96 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 74.049999999999997 110.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 4.6 pt -113.17 173.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 74.120000000000005 109.316 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -73.98 -51.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 179.78 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 74.430000000000007 109.322 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -129.76 101.48 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.310000000000002 110.259 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' CD ' ' C ' ' A' ' 48' ' ' LYS . 1.9 tmtt? -153.01 132.98 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 75.150000000000006 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 33' ' ' CYS . 50.9 m-85 -150.89 94.44 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 63.340000000000003 111.031 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -91.46 92.37 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 71.230000000000004 109.349 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.15 153.78 43.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 75.299999999999997 109.341 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.65 14.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 63.530000000000001 110.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . . . -88.42 17.31 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 74.129999999999995 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -124.53 1.93 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 109.364 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 56' ' ' THR . 3.9 tt -93.95 155.41 17.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 75.439999999999998 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -103.94 161.43 13.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 75.430000000000007 110.432 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 60' ' ' PHE . 91.8 t -53.11 -41.95 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 71.430000000000007 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.27 -59.21 2.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 61.25 111.008 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -49.52 -32.63 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 75.439999999999998 110.288 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.529 ' CE1' ' CB ' ' A' ' 49' ' ' TYR . 4.0 t80 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 73.219999999999999 111.003 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 76' ' ' ILE . 18.5 t -71.93 -16.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 71.140000000000001 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -63.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 74.019999999999996 110.999 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -45.19 -49.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 73.129999999999995 109.314 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.507 HG13 ' CE1' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -55.03 -64.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.25 109.313 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' HG21 ' A' ' 64' ' ' ILE . 36.8 ttp180 -41.2 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 74.450000000000003 110.285 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -78.83 -49.08 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 75.319999999999993 109.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.0 mmt-85 -49.22 -22.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 73.239999999999995 110.253 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.492 ' C ' ' CG ' ' A' ' 69' ' ' MET . 1.2 pt -106.88 -23.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 72.299999999999997 109.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER 73.68 29.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 74.140000000000001 110.996 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 68' ' ' ILE . 1.8 mp -64.29 149.79 93.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 64.299999999999997 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 172.54 16.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 75.129999999999995 111.051 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.77 . . . . 71.129999999999995 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 74' ' ' LYS . 9.9 pt-20 -95.07 -35.28 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.450000000000003 110.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -58.07 168.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 72.409999999999997 109.317 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.19 105.97 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 73.340000000000003 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CG2' HG11 ' A' ' 61' ' ' VAL . 2.8 tt -104.9 132.44 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 72.549999999999997 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -117.32 139.54 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.010000000000005 111.012 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 107' ' ' VAL . 2.9 mm -89.19 142.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.409999999999997 109.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CZ ' HD12 ' A' ' 84' ' ' LEU . 76.5 m-85 -135.0 133.4 39.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 72.25 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.588 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -134.43 140.94 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 73.439999999999998 109.262 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.567 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 1.7 m-80 41.93 53.59 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 72.299999999999997 109.293 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 50.34 45.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 74.450000000000003 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -139.69 -173.63 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 61.109999999999999 110.427 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.557 HD12 ' CZ ' ' A' ' 79' ' ' PHE . 4.3 tt -143.77 93.64 6.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.323 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.66 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 75.510000000000005 110.99 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.13 25.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 74.329999999999998 110.998 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.83 -13.99 58.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 75.549999999999997 110.345 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.01 -26.9 23.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 54.329999999999998 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.07 139.37 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 72.109999999999999 109.278 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 tp -89.06 131.85 35.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 74.310000000000002 109.289 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 73.1 mmm -62.65 -12.3 22.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 74.109999999999999 110.993 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.8 t -84.07 -41.57 17.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 70.319999999999993 110.007 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.72 -36.36 57.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 75.439999999999998 109.285 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.566 HG21 ' CD2' ' A' ' 98' ' ' HIS . 15.2 mm -65.76 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 74.530000000000001 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.482 ' CD2' ' CG2' ' A' ' 29' ' ' ILE . 3.0 t80 -57.95 -23.92 55.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 73.430000000000007 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.1 -37.3 87.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.129999999999995 110.343 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -110.18 -0.71 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 75.239999999999995 110.321 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.588 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 83.5 m-70 -112.97 -9.55 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 72.010000000000005 109.562 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -50.23 143.6 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 75.319999999999993 109.262 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 2.9 t70 -98.86 179.98 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 71.109999999999999 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -77.14 -16.37 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.109999999999999 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.86 -14.89 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.329999999999998 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.48 -59.56 0.36 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 75.019999999999996 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.605 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -49.27 177.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 75.25 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.443 HD13 ' CB ' ' A' ' 98' ' ' HIS . 7.8 tp -116.44 156.5 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 74.400000000000006 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.05 105.36 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 75.549999999999997 110.995 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -135.63 162.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 63.219999999999999 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 4.0 m -145.38 137.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 63.020000000000003 110.404 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.495 ' CD1' ' O ' ' A' ' 109' ' ' TYR . 6.9 p90 -106.14 148.12 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.349999999999994 110.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 1.7 t -145.37 134.35 22.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 74.010000000000005 109.95 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.37 -14.28 33.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 65.319999999999993 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -110.83 163.46 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 64.510000000000005 110.29 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -97.43 73.83 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 52.530000000000001 109.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.420000000000002 110.367 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.277 -0.268 . . . . 73.400000000000006 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -44.53 -53.44 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 74.129999999999995 109.3 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.27 -57.76 7.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 72.209999999999994 109.359 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -42.49 -29.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 73.409999999999997 110.342 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -89.14 -40.93 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 54.350000000000001 110.003 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ALA . 17.3 mm-40 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 75.530000000000001 110.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -80.66 -51.62 8.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 73.409999999999997 110.321 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.456 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 19.0 mt -64.01 -18.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.109999999999999 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.1 -38.66 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 63.200000000000003 109.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.58 -33.14 62.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.200000000000003 109.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -81.15 -40.37 24.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 75.010000000000005 110.292 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 5.2 m-85 -146.0 81.31 9.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.07 9.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 53.310000000000002 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -106.96 17.39 23.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.32 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.3 mmt85 -114.02 -177.8 3.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 74.340000000000003 110.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 95' ' ' TYR . 34.9 mt -147.26 90.9 5.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 74.129999999999995 109.329 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.0 97.09 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 75.340000000000003 110.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 3.3 t -85.68 136.18 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.631 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 4.7 mm -113.92 92.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.019999999999996 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.0 t -87.74 157.35 19.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 71.420000000000002 108.309 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' CG2' ' A' ' 108' ' ' THR . 21.5 mp0 -138.88 118.53 13.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 65.510000000000005 110.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 144.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 75.430000000000007 109.313 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -102.65 109.18 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 64.319999999999993 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.8 pt-20 -43.46 -49.44 7.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 110.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.26 -40.56 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 63.25 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' ALA . 7.8 t -49.3 161.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 74.219999999999999 109.982 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -121.42 13.39 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 73.099999999999994 109.265 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.423 ' CD1' HD12 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -90.98 163.64 28.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 70.030000000000001 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 133.21 16.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 74.420000000000002 110.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.05 170.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.540000000000006 110.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 3.5 pt -109.08 -172.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 70.230000000000004 109.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -79.25 -56.26 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 109.355 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.54 177.65 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 72.120000000000005 109.314 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -111.44 102.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 73.450000000000003 110.305 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -158.79 111.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 74.209999999999994 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE1' HG13 ' A' ' 64' ' ' ILE . 53.4 m-85 -135.52 96.21 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.239999999999995 110.973 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.7 tp -98.56 94.06 6.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 72.209999999999994 109.316 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.65 158.06 37.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 64.540000000000006 109.313 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.23 14.86 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 73.439999999999998 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 17.59 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 73.530000000000001 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -8.55 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 65.420000000000002 109.296 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 59' ' ' GLN . 7.6 tt -81.22 157.9 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 63.009999999999998 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' VAL . 16.6 p -118.3 152.0 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 64.109999999999999 110.399 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' THR . 93.6 t -40.46 -47.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 75.319999999999993 109.311 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.22 -54.32 2.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 61.130000000000003 110.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 13.7 mt-30 -58.08 -53.4 58.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 74.040000000000006 110.289 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 59.6 t80 -46.66 -54.94 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.510000000000005 110.99 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 t -50.55 -28.47 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.219999999999999 109.288 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 1.4 t80 -80.69 -60.43 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.549999999999997 111.022 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 t -40.9 -50.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 72.310000000000002 109.316 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -54.05 -52.62 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 72.140000000000001 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' MET . 18.6 ttm180 -48.64 -23.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 110.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -74.12 -43.64 56.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 64.439999999999998 109.326 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 17.0 mmt180 -60.82 -18.71 57.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 70.299999999999997 110.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 3.0 pt -113.74 -11.77 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 72.5 109.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.0 ptp 40.96 48.47 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 75.329999999999998 111.003 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.41 155.61 93.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 109.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.23 23.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 64.329999999999998 111.012 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.58 10.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 74.239999999999995 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.21 -29.27 14.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 173.72 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 72.010000000000005 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.0 106.24 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 63.140000000000001 109.315 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.0 tt -107.67 161.16 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 76' ' ' ILE . 55.2 m-85 -151.26 148.0 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 74.129999999999995 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.1 mm -108.17 137.6 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 74.340000000000003 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.567 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 67.6 m-85 -127.24 122.54 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 75.329999999999998 111.009 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.454 ' CG1' ' HG3' ' A' ' 85' ' ' PRO . 1.5 p -111.23 133.44 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.530000000000001 109.275 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 44.5 61.22 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 64.540000000000006 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 43.12 41.09 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 62.020000000000003 109.332 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.498 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -141.68 -173.76 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 73.510000000000005 110.373 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 79' ' ' PHE . 5.1 tp -138.21 100.34 8.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 75.230000000000004 109.309 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 156.53 43.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 75.120000000000005 111.017 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.33 40.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 74.329999999999998 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -2.48 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.519999999999996 110.396 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.73 -26.83 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 75.150000000000006 109.295 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.69 137.36 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 72.239999999999995 109.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tp -88.48 130.14 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 72.109999999999999 109.312 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.2 mmm -57.08 -16.44 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 64.109999999999999 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 p -74.84 -50.01 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 64.319999999999993 109.935 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 71.549999999999997 109.28 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' HIS . 20.5 mm -71.68 -57.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 74.430000000000007 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.687 ' CD2' ' CD2' ' A' ' 105' ' ' LEU . 2.2 t80 -60.35 -18.06 47.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 73.549999999999997 111.055 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -77.03 -33.51 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 74.530000000000001 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -109.08 -0.85 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.299999999999997 110.347 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.553 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 50.2 m-70 -122.98 26.92 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.537 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 135.59 34.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 73.329999999999998 109.305 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 179.28 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 64.409999999999997 109.342 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -78.21 -0.52 28.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.150000000000006 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 -3.71 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.230000000000004 109.285 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.12 -1.38 85.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.155 . . . . 51.340000000000003 111.03 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.631 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -103.78 -179.22 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.761 . . . . 71.219999999999999 110.997 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.687 ' CD2' ' CD2' ' A' ' 95' ' ' TYR . 0.5 OUTLIER -110.72 156.16 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 75.129999999999995 109.281 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -128.26 105.74 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 72.099999999999994 111.003 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.588 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -132.95 160.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 75.239999999999995 109.277 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.441 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 19.2 m -145.09 125.45 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 73.530000000000001 110.41 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 109' ' ' TYR . 6.3 p90 -109.09 141.37 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 75.349999999999994 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -140.57 157.43 45.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 110.003 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -77.37 2.06 63.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 54.049999999999997 110.981 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -125.57 157.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 71.530000000000001 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.62 68.2 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 75.5 109.285 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 110.402 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.322 -0.251 . . . . 74.019999999999996 110.322 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' SER . 21.6 ttpt -61.51 -60.52 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 73.439999999999998 109.31 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -47.81 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 72.409999999999997 109.268 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -48.86 -40.65 30.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 74.439999999999998 110.307 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 1.4 t -74.37 -42.12 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 74.340000000000003 109.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.43 -26.71 8.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -82.03 -54.53 5.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.239999999999995 110.344 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.444 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 28.8 mt -60.28 -19.58 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 75.530000000000001 109.248 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.34 -42.88 15.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.16 -40.42 81.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 75.140000000000001 109.247 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -85.39 -50.56 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 63.109999999999999 110.344 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.469 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.7 m-85 -126.15 74.05 72.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 70.219999999999999 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.5 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 75.239999999999995 111.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -104.99 8.79 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 75.209999999999994 109.272 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.0 mpt_? -104.23 -178.0 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 73.409999999999997 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.513 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 1.7 mt -142.95 90.35 7.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 74.120000000000005 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.02 91.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 73.209999999999994 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 105' ' ' LEU . 2.7 t -85.61 153.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 72.430000000000007 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -128.24 92.03 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 74.430000000000007 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 35.7 t -92.81 154.43 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 71.200000000000003 108.252 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HG2' ' NH2' ' A' ' 47' ' ' ARG . 2.5 mp0 -140.97 118.68 11.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 72.439999999999998 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.6 136.65 50.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 74.329999999999998 109.337 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.14 123.23 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.310000000000002 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -57.0 -43.94 82.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 73.540000000000006 110.252 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -54.7 -47.36 73.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 75.349999999999994 109.34 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 p -39.64 157.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.099999999999994 109.997 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -107.83 28.9 7.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 75.349999999999994 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -99.63 160.2 28.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.540000000000006 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 74.109999999999999 111.018 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.64 159.73 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 75.420000000000002 110.291 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 14.3 pt -103.03 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.340000000000003 109.267 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.15 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.340000000000003 109.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 -167.91 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 72.420000000000002 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -118.64 101.6 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 72.439999999999998 110.254 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -153.42 123.98 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.519999999999996 109.33 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 21.8 m-85 -137.97 104.57 5.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.120000000000005 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -106.96 92.11 3.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 75.239999999999995 109.322 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.12 154.45 48.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 70.209999999999994 109.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 73.430000000000007 110.979 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.29 17.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.450000000000003 109.289 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.02 -3.03 10.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.299999999999997 109.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 59' ' ' GLN . 6.3 tt -89.79 152.84 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 73.400000000000006 109.267 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -113.57 164.21 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 64.319999999999993 110.357 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -48.42 -44.0 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.519999999999996 109.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.01 -56.08 2.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 72.430000000000007 111.011 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.455 ' CB ' HD11 ' A' ' 55' ' ' LEU . 3.8 mm100 -55.45 -51.17 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 74.099999999999994 110.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.1 t80 -48.93 -58.78 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.010000000000005 110.994 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.6 t -44.03 -30.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 72.519999999999996 109.325 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -80.29 -45.9 17.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.420000000000002 110.993 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.11 -45.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 75.530000000000001 109.307 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.557 HG12 ' CD2' ' A' ' 109' ' ' TYR . 4.4 mp -61.03 -55.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.450000000000003 109.298 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -43.83 -26.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.329999999999998 110.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -82.74 -44.17 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 74.510000000000005 109.265 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 7.1 mmt-85 -58.66 -29.89 66.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 110.254 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.481 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.4 pt -108.37 -8.64 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 74.340000000000003 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 11.7 ptp 41.75 47.12 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 74.150000000000006 111.019 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.98 155.8 92.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 75.439999999999998 109.286 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.06 19.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 64.310000000000002 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 70.129999999999995 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.29 -40.8 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 74.319999999999993 110.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 75.430000000000007 109.326 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 111' ' ' GLY . . . -153.8 106.12 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 72.25 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 68' ' ' ILE . 4.6 tt -110.26 161.41 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 71.019999999999996 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -151.02 145.65 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 72.140000000000001 111.035 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.502 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 2.5 mm -101.66 139.21 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 74.099999999999994 109.277 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 69.5 m-85 -131.04 120.55 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.329999999999998 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.431 ' CG1' ' HG3' ' A' ' 85' ' ' PRO . 1.3 p -111.24 130.15 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 73.319999999999993 109.322 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.573 ' N ' HD21 ' A' ' 81' ' ' ASN . 1.4 m-80 46.68 65.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.259 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 40.27 37.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 74.340000000000003 109.278 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -138.29 179.82 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.329999999999998 110.444 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 79' ' ' PHE . 2.6 tp -136.7 99.63 10.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 73.219999999999999 109.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.431 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.96 161.74 38.36 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.439 1.758 . . . . 74.030000000000001 111.05 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.49 31.12 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.799 . . . . 74.109999999999999 110.978 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 3.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.409999999999997 110.344 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.2 -28.35 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 74.230000000000004 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -44.06 126.97 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 72.120000000000005 109.329 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -76.05 127.24 32.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 72.230000000000004 109.298 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.421 ' N ' HD12 ' A' ' 90' ' ' LEU . 95.2 mmm -56.5 -16.72 6.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 74.010000000000005 110.997 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 p -75.09 -47.87 26.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 72.450000000000003 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.57 61.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 73.510000000000005 109.281 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' HIS . 17.6 mm -67.53 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 71.129999999999995 109.287 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CD2' HD21 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -56.74 -19.68 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 71.25 111.023 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.84 -40.27 75.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 75.409999999999997 110.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -107.73 -0.67 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 74.430000000000007 110.314 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.578 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 89.9 m-70 -116.97 20.66 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 109.579 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -94.57 135.73 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 70.340000000000003 109.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -96.08 179.96 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.28 -15.69 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 74.540000000000006 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.83 -16.55 33.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.129999999999995 109.321 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.66 -51.8 1.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 75.439999999999998 111.006 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.7 m-85 -49.56 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 75.010000000000005 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -113.27 157.84 21.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 73.140000000000001 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.23 102.83 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 72.150000000000006 110.992 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -124.72 159.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 75.430000000000007 109.323 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.42 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 39.0 m -154.98 114.63 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 72.319999999999993 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.597 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 5.5 p90 -101.57 -173.64 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -174.74 161.93 3.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.230000000000004 110.024 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 75' ' ' ALA . . . -75.37 -0.24 61.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 74.219999999999999 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -124.08 156.95 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 74.140000000000001 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -87.76 63.67 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.299999999999997 109.318 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.531 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 5.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 65.349999999999994 110.434 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.306 -0.257 . . . . 75.519999999999996 110.306 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -46.67 -33.73 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 74.219999999999999 109.251 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.23 -60.14 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 43.450000000000003 109.289 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.23 -32.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.209999999999994 110.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 t -79.33 -52.25 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 74.219999999999999 109.965 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.63 -31.83 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 110.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -80.23 -44.76 19.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 73.150000000000006 110.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.63 -24.9 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 71.420000000000002 109.278 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.8 -37.8 29.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 62.240000000000002 109.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.73 -46.7 88.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 74.230000000000004 109.268 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -80.43 -43.88 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 71.349999999999994 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.6 m-85 -132.6 78.41 67.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 72.140000000000001 110.977 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 0.01 9.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 74.319999999999993 110.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -108.22 17.39 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 74.340000000000003 109.321 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 24.6 mmt180 -112.93 -177.9 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 73.040000000000006 110.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.665 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 15.5 mt -149.06 93.55 4.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.340000000000003 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.02 97.57 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.515 1.797 . . . . 73.200000000000003 110.989 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.92 126.73 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 74.409999999999997 109.283 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 HG12 ' CE1' ' A' ' 104' ' ' PHE . 2.6 mm -98.3 91.8 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 73.25 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 49' ' ' TYR . 49.9 t -94.53 157.41 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 108.321 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.81 170.86 14.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 75.420000000000002 110.274 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 2.1 tmtt? -100.15 134.13 43.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.150000000000006 109.33 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.61 111.39 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.120000000000005 109.294 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.17 -36.33 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.319999999999993 110.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -68.4 -38.63 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 65.530000000000001 109.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 p -48.36 175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 61.409999999999997 110.029 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -122.85 21.95 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 74.120000000000005 109.306 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -87.98 154.58 52.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 109.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.438 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.95 135.07 18.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 63.149999999999999 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -55.36 163.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 72.340000000000003 110.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' CD1' ' OH ' ' A' ' 109' ' ' TYR . 27.6 pt -114.58 166.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 75.310000000000002 109.279 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -47.65 -58.37 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 64.430000000000007 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.57 -167.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.23 101.46 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 73.129999999999995 110.279 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -159.27 102.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 109.326 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 97.2 m-85 -124.24 93.75 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 75.329999999999998 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD13 ' CA ' ' A' ' 30' ' ' PRO . 4.8 tp -95.63 96.79 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 71.109999999999999 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.65 153.66 44.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 74.040000000000006 109.342 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 75.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.28 18.52 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 73.549999999999997 109.324 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -124.44 1.76 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 72.400000000000006 109.326 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' CD1' HG13 ' A' ' 51' ' ' VAL . 4.0 tt -93.72 155.75 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 75.319999999999993 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -105.29 154.87 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.329999999999998 110.41 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 60' ' ' PHE . 73.1 t -47.54 -44.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 72.140000000000001 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' VAL . . . -40.61 -58.8 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 62.299999999999997 111.017 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -45.44 -37.6 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 72.209999999999994 110.319 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' HD13 ' A' ' 64' ' ' ILE . 10.2 t80 -63.64 -36.38 83.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 74.340000000000003 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' GLY . 11.1 t -68.63 -16.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 73.200000000000003 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.543 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -86.72 -63.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.5 111.006 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 m -44.8 -47.85 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 73.230000000000004 109.314 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -56.53 -64.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 64.420000000000002 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' N ' HG21 ' A' ' 64' ' ' ILE . 18.6 ttm180 -40.62 -28.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 75.239999999999995 110.268 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -79.76 -49.19 12.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 75.319999999999993 109.271 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 64' ' ' ILE . 4.6 mmp_? -50.15 -21.82 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 75.030000000000001 110.259 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.501 ' C ' ' CG ' ' A' ' 69' ' ' MET . 1.0 OUTLIER -106.58 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 63.420000000000002 109.299 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 72.2 31.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 75.230000000000004 110.965 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HG ' ' CD ' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -64.32 152.72 88.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 74.040000000000006 109.29 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 73.200000000000003 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 64.319999999999993 110.981 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.32 -29.63 13.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 65.420000000000002 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 4.2 mttp -69.73 170.42 10.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.239999999999995 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.67 106.13 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.432 ' CD1' HD11 ' A' ' 68' ' ' ILE . 6.5 tt -102.66 130.82 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 64.040000000000006 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -110.61 138.63 46.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 74.519999999999996 110.988 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 109' ' ' TYR . 1.7 mm -94.24 141.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 74.439999999999998 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CE2' HD12 ' A' ' 84' ' ' LEU . 38.4 m-85 -129.18 129.71 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.140000000000001 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.522 ' CG2' ' ND1' ' A' ' 98' ' ' HIS . 1.3 p -129.34 128.82 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 74.030000000000001 109.307 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.57 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 77.2 m-20 58.42 37.45 25.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 74.239999999999995 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 59.95 34.28 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.430000000000007 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.97 -173.79 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 73.439999999999998 110.387 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.535 HD12 ' CE2' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -147.08 94.8 4.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.430000000000007 109.298 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.45 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 164.04 34.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.773 . . . . 63.530000000000001 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.86 40.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 74.549999999999997 110.976 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -17.33 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 73.109999999999999 110.397 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.17 -26.58 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 109.267 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.45 133.98 19.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 74.519999999999996 109.274 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 tp -86.07 135.64 33.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 65.150000000000006 109.302 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.9 mmm -62.93 -11.71 20.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.040000000000006 110.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.9 p -84.28 -44.45 13.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 72.319999999999993 109.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.3 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 64.140000000000001 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.567 HG21 ' CD2' ' A' ' 98' ' ' HIS . 19.3 mm -65.51 -61.36 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 71.140000000000001 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.665 ' CD2' ' CG2' ' A' ' 29' ' ' ILE . 4.1 t80 -54.92 -22.1 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 75.349999999999994 110.996 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.63 -36.38 76.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 74.310000000000002 110.307 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -109.01 -0.77 19.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 73.439999999999998 110.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.57 ' HD1' ' ND2' ' A' ' 81' ' ' ASN . 42.8 m-70 -109.53 -21.47 12.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 72.530000000000001 109.603 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -44.65 142.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 75.120000000000005 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.12 179.75 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 75.030000000000001 109.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -68.16 -17.97 64.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 74.109999999999999 109.303 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 104' ' ' PHE . 3.7 p-10 -90.71 -14.77 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 62.299999999999997 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -54.02 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 75.450000000000003 110.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -51.64 170.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 75.420000000000002 110.982 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tp -115.08 128.34 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 75.310000000000002 109.32 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -101.7 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 73.129999999999995 110.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -144.04 165.31 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 m -155.58 133.21 11.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.010000000000005 110.401 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' A' ' 35' ' ' LYS . 2.2 p90 -107.61 -179.91 4.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 72.109999999999999 110.938 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.5 p -169.96 131.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 110.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -47.26 -23.51 1.88 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 64.099999999999994 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -104.67 157.74 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 74.140000000000001 110.328 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.72 70.18 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 62.310000000000002 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 73.439999999999998 110.408 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.323 -0.251 . . . . 73.439999999999998 110.323 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -61.56 -42.39 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 109.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -53.22 -61.76 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.239999999999995 109.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.98 -52.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 62.229999999999997 110.287 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -51.42 -45.92 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 74.010000000000005 110.029 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.9 mt-10 -55.68 -26.82 46.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 72.120000000000005 110.256 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -79.96 -34.04 39.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 75.310000000000002 110.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.2 mt -77.21 -27.63 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 72.409999999999997 109.314 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.94 -22.07 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 70.120000000000005 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -94.01 -18.04 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.099999999999994 109.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -105.19 -64.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 74.549999999999997 110.302 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.3 m-85 -121.83 76.05 38.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 75.409999999999997 111.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 75.430000000000007 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -101.34 12.59 37.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 63.520000000000003 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 50' ' ' LEU . 6.4 mmm180 -112.15 -177.86 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 74.230000000000004 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.551 HG22 ' CD2' ' A' ' 95' ' ' TYR . 45.8 mt -147.0 90.55 5.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -74.98 102.38 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 71.540000000000006 111.02 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.552 HG12 ' CE1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -87.48 154.57 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.558 HG12 ' CE1' ' A' ' 104' ' ' PHE . 2.4 mm -133.1 92.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 74.120000000000005 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.474 ' CB ' HG21 ' A' ' 107' ' ' VAL . 14.2 p -89.0 157.42 18.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 72.530000000000001 108.326 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 108' ' ' THR . 31.6 mt-10 -136.45 119.97 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.030000000000001 110.304 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.543 ' NZ ' ' CG1' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -40.24 139.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 74.420000000000002 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.36 109.47 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 65.030000000000001 109.284 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -47.57 -33.69 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 75.140000000000001 110.314 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -57.5 -42.94 83.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 74.409999999999997 109.272 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.4 ' OG ' ' OG ' ' A' ' 110' ' ' SER . 0.7 OUTLIER -56.63 167.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.430000000000007 109.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -124.56 13.61 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 74.319999999999993 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CG1' ' NZ ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -79.34 161.73 66.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 72.430000000000007 109.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.65 19.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 75.049999999999997 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.6 161.59 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 74.319999999999993 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.431 ' CG2' HG23 ' A' ' 68' ' ' ILE . 29.8 pt -109.81 -172.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 74.349999999999994 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -80.15 -55.85 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 74.230000000000004 109.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.88 160.95 36.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 75.120000000000005 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -105.69 101.85 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 72.540000000000006 110.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -158.78 110.72 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 71.319999999999993 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.561 ' CE1' HG13 ' A' ' 63' ' ' VAL . 49.6 m-85 -136.47 123.9 22.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 74.120000000000005 110.965 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 5.7 mt -109.47 101.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 75.120000000000005 109.305 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -109.58 152.5 42.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 75.420000000000002 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.23 14.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 74.030000000000001 111.025 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.16 17.77 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 73.25 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -124.54 1.96 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.099999999999994 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 56' ' ' THR . 4.0 tt -92.28 154.1 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.7 p -100.96 160.81 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 74.540000000000006 110.396 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' PHE . 63.9 t -55.91 -52.42 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 65.430000000000007 109.279 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.68 -42.91 2.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 110.983 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -57.31 -43.23 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 74.230000000000004 110.268 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.552 ' CE1' HG12 ' A' ' 31' ' ' VAL . 20.5 t80 -61.22 -58.85 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.219999999999999 111.0 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' CG2' HG12 ' A' ' 78' ' ' ILE . 21.8 t -40.43 -29.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.530000000000001 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' PHE . 7.8 t80 -77.7 -48.32 17.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 64.200000000000003 110.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.561 HG13 ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -46.01 -45.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 71.129999999999995 109.345 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.495 HD13 ' CZ ' ' A' ' 60' ' ' PHE . 1.4 mp -63.92 -51.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 73.329999999999998 109.246 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.9 ttp180 -46.04 -24.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 65.540000000000006 110.354 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -50.95 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 70.409999999999997 109.282 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -54.17 -28.13 38.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 71.340000000000003 110.31 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.3 pt -107.07 -14.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 62.240000000000002 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.5 ptp 42.44 47.19 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 73.340000000000003 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 164.76 17.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 74.239999999999995 109.328 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.39 27.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 74.219999999999999 110.961 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.812 . . . . 75.510000000000005 111.027 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.48 -36.42 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 74.319999999999993 110.337 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.37 173.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 60.399999999999999 109.281 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.84 108.43 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 3.5 tt -99.37 159.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 75.409999999999997 109.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -148.51 137.87 21.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 110.992 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.45 HG12 ' CG2' ' A' ' 61' ' ' VAL . 15.8 mm -93.65 152.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 73.319999999999993 109.279 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 114' ' ' THR . 4.5 m-85 -136.71 140.22 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 73.530000000000001 111.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -126.6 123.8 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.624 ' N ' HD21 ' A' ' 81' ' ' ASN . 1.3 m-80 59.12 41.5 20.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 72.319999999999993 109.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.22 30.9 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.510000000000005 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.63 176.42 7.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 64.329999999999998 110.399 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.521 HD12 ' CE1' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -133.19 95.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 72.319999999999993 109.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.75 28.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.541 1.811 . . . . 72.540000000000006 111.027 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 157.27 42.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 72.5 110.991 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.17 -14.29 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.200000000000003 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.96 -26.69 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 73.239999999999995 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.17 136.07 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 109.336 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tp -86.3 132.89 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 71.209999999999994 109.317 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.3 mmm -61.29 -13.06 16.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 74.129999999999995 111.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.0 p -81.13 -45.9 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 75.099999999999994 110.015 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.26 -31.78 58.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 71.540000000000006 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.409 HG21 ' CD2' ' A' ' 98' ' ' HIS . 13.4 mm -67.6 -60.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.140000000000001 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CD2' HG22 ' A' ' 29' ' ' ILE . 6.4 t80 -61.05 -22.08 64.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 73.230000000000004 110.979 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.18 -34.86 77.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 74.209999999999994 110.305 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.5 -0.71 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 74.049999999999997 110.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.561 ' CE1' HG21 ' A' ' 80' ' ' VAL . 80.4 m-70 -114.08 -12.19 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 72.439999999999998 109.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -45.11 142.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 3.0 t70 -96.86 179.66 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 72.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -76.91 -12.95 60.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 72.409999999999997 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.5 p30 -103.32 14.24 31.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 72.530000000000001 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.31 -61.89 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 71.310000000000002 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -46.34 172.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 63.530000000000001 110.984 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.3 tp -115.33 165.16 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 75.219999999999999 109.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.654 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -131.51 122.2 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 111.008 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.474 HG21 ' CB ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -143.74 177.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.340000000000003 109.296 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 2.3 m -151.05 132.47 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.340000000000003 110.413 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.417 ' CE1' ' SG ' ' A' ' 33' ' ' CYS . 46.1 p90 -113.94 136.53 52.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.549999999999997 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.4 ' OG ' ' OG ' ' A' ' 39' ' ' SER . 37.8 t -142.41 153.1 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 61.229999999999997 109.959 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.42 -6.01 52.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.523 1.14 . . . . 74.530000000000001 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -109.32 156.65 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.786 . . . . 74.030000000000001 110.322 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.64 50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.573 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 22.9 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.450000000000003 110.406 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.443 ' CG ' ' N ' ' A' ' 15' ' ' LYS . 13.3 ptm180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.308 -0.256 . . . . 74.010000000000005 110.308 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 25.3 tttp -47.4 -34.64 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.310000000000002 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.48 -44.72 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 63.149999999999999 109.247 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -47.39 -48.18 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 75.209999999999994 110.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -60.4 -45.39 93.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 75.239999999999995 109.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -51.19 -27.48 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 64.409999999999997 110.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -80.57 -57.44 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 75.439999999999998 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.4 mt -56.48 -20.65 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 64.530000000000001 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.8 -32.07 27.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 74.040000000000006 109.337 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.64 -35.14 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 109.287 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 5.3 tpt180 -84.41 -49.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.349999999999994 110.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 2.1 m-85 -139.89 88.29 12.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 65.040000000000006 111.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.44 12.54 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 75.420000000000002 110.995 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.32 24.37 11.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 62.409999999999997 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.469 ' CD ' HD13 ' A' ' 50' ' ' LEU . 18.9 mmt-85 -117.97 -177.81 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 75.540000000000006 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.627 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 13.6 mt -149.95 96.37 3.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 75.530000000000001 109.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.548 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.06 95.62 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 71.439999999999998 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -85.77 160.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 71.019999999999996 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.539 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 8.1 mm -134.23 93.6 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.540000000000006 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 46.0 t -98.45 157.21 16.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 73.25 108.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.547 ' CG ' ' NH2' ' A' ' 47' ' ' ARG . 39.6 mt-10 -139.92 118.43 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 73.319999999999993 110.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -50.01 136.53 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 75.120000000000005 109.267 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 39' ' ' SER . . . -66.0 109.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 62.130000000000003 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.53 -44.45 56.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 75.519999999999996 110.275 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -62.29 -35.83 80.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 74.120000000000005 109.257 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 5.0 p -46.82 171.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 73.030000000000001 109.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.36 19.36 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 75.340000000000003 109.302 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.68 161.09 40.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 75.120000000000005 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.88 6.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.768 . . . . 73.420000000000002 110.963 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.64 164.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 70.129999999999995 110.311 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 4.7 pt -105.83 170.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 74.310000000000002 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -63.15 -57.4 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 60.109999999999999 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 -174.43 3.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 74.049999999999997 109.313 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.547 ' NH2' ' CG ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -126.17 101.61 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 71.439999999999998 110.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -159.46 115.94 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.019999999999996 109.265 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CE2' HG13 ' A' ' 64' ' ' ILE . 81.1 m-85 -129.7 93.77 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.977 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD13 ' CD ' ' A' ' 28' ' ' ARG . 1.1 tm? -77.18 92.0 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 74.549999999999997 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 146.16 33.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 74.299999999999997 109.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 75.450000000000003 110.99 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . . . -90.03 18.53 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -124.63 2.05 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 73.400000000000006 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 56' ' ' THR . 5.5 tt -94.66 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 71.129999999999995 109.345 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.5 p -111.58 165.01 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.540000000000006 110.384 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -52.22 -39.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 74.510000000000005 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.498 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -42.88 -61.29 2.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 70.450000000000003 111.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 65.7 mm-40 -45.83 -49.34 15.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 73.310000000000002 110.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 10.1 t80 -49.69 -58.43 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 54.450000000000003 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.0 t -44.57 -28.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.530000000000001 109.353 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 3.1 t80 -84.81 -44.21 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.530000000000001 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 t -52.76 -55.53 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 75.209999999999994 109.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.496 HG13 ' CE2' ' A' ' 49' ' ' TYR . 2.1 mp -54.25 -53.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 74.040000000000006 109.284 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' MET . 12.9 ttp85 -39.73 -32.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 74.450000000000003 110.332 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -80.48 -47.92 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 74.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.0 mpt_? -56.31 -28.87 60.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 74.409999999999997 110.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.3 pt -107.7 -11.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.120000000000005 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 21.0 ptp 41.4 50.71 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 75.439999999999998 110.953 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 68' ' ' ILE . 11.9 mt -64.51 163.97 23.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 74.239999999999995 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 157.42 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 65.329999999999998 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.77 10.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 70.530000000000001 111.031 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.85 -13.61 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -95.8 178.88 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 72.439999999999998 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.49 108.36 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 72.439999999999998 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.538 HD13 ' CD1' ' A' ' 109' ' ' TYR . 6.8 tt -95.53 154.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 74.400000000000006 109.298 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -137.33 149.28 46.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 72.25 110.986 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.583 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 3.7 mm -100.1 158.87 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.040000000000006 109.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 78' ' ' ILE . 14.6 m-85 -147.2 151.81 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 75.209999999999994 111.009 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.608 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -137.44 123.85 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 71.430000000000007 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 55.67 51.8 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 74.450000000000003 109.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 52.91 44.12 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 64.340000000000003 109.29 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.76 171.08 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 71.400000000000006 110.451 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 79' ' ' PHE . 1.7 tt -128.14 95.2 34.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 70.430000000000007 109.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 169.13 23.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 73.230000000000004 110.968 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.37 40.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 74.540000000000006 110.976 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.498 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -82.11 -13.33 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 75.209999999999994 110.393 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.13 -22.6 26.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 73.420000000000002 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . . . -48.82 139.65 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.430000000000007 109.285 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tp -91.57 131.57 36.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 64.530000000000001 109.293 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.7 mmm -60.25 -15.41 24.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 74.219999999999999 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 -43.38 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 65.400000000000006 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.08 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 74.299999999999997 109.31 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 89' ' ' ALA . 15.7 mm -46.2 -58.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 74.5 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 t80 -59.24 -31.97 69.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 75.439999999999998 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -70.08 -28.66 65.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 73.400000000000006 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.87 -0.58 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 75.420000000000002 110.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.608 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 84.8 m-70 -122.52 0.21 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 72.409999999999997 109.576 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -69.28 134.86 49.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 109.307 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.507 ' CG ' ' CE1' ' A' ' 106' ' ' TYR . 9.1 m-20 -102.62 179.23 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 70.230000000000004 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 74.340000000000003 109.257 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -86.9 9.04 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 71.439999999999998 109.313 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.13 -67.87 0.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 110.957 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -46.89 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 75.439999999999998 110.954 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 95' ' ' TYR . 8.1 tp -113.37 165.07 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 65.129999999999995 109.34 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -133.2 119.01 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.239999999999995 110.994 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.504 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -136.01 164.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 75.439999999999998 109.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.497 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 93.1 m -152.44 126.72 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 64.540000000000006 110.386 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.538 ' CD1' HD13 ' A' ' 76' ' ' ILE . 5.6 p90 -113.7 151.93 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 63.039999999999999 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.1 p -144.69 148.1 33.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.520000000000003 110.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -56.23 -17.01 16.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 75.329999999999998 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -104.86 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 75.319999999999993 110.304 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -92.55 23.7 3.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 70.230000000000004 109.249 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.487 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 2.5 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 73.030000000000001 110.424 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.417 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 9.6 mmm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.3 -0.259 . . . . 74.430000000000007 110.3 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -66.23 -49.29 67.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 73.310000000000002 109.29 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.97 -42.12 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 75.040000000000006 109.301 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -67.97 -19.76 64.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 74.239999999999995 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -87.43 -36.32 17.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 73.040000000000006 110.046 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 64.540000000000006 110.237 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -82.42 -44.0 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 70.420000000000002 110.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.417 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 35.8 mt -65.93 -31.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 75.530000000000001 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -82.88 -43.14 16.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 55.350000000000001 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.92 -47.58 80.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 73.200000000000003 109.289 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.559 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -79.73 -46.93 16.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 110.345 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.4 m-85 -130.46 77.13 76.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 73.340000000000003 111.006 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.95 -0.88 10.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 75.430000000000007 111.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.17 22.17 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 72.340000000000003 109.299 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 13.9 mmt180 -118.01 -177.91 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 73.140000000000001 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 91' ' ' MET . 2.8 mt -141.96 92.91 7.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 70.25 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.56 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -74.95 103.58 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 73.209999999999994 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 3.8 t -101.21 152.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 75.209999999999994 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 47' ' ' ARG . 2.0 mm -122.58 92.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 73.409999999999997 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -85.26 127.21 34.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 72.109999999999999 108.304 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' O ' ' CG2' ' A' ' 108' ' ' THR . 0.3 OUTLIER -112.85 148.17 35.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 74.409999999999997 110.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 143.13 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 75.329999999999998 109.258 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.75 109.0 20.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 73.140000000000001 109.301 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -49.98 -41.75 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.420000000000002 110.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 27.0 mttp -44.53 -36.75 3.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 75.319999999999993 109.286 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -68.22 173.85 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.319999999999993 110.043 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -119.99 1.01 10.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 74.140000000000001 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.467 ' CD1' HD13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -74.08 163.12 70.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.319999999999993 109.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.21 36.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 61.340000000000003 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 71.25 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 pt -113.09 -172.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 74.310000000000002 109.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -76.47 -57.52 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 72.439999999999998 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 -172.96 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 74.530000000000001 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.476 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -116.2 106.18 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 74.450000000000003 110.301 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -158.6 103.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 72.319999999999993 109.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 6.0 m-85 -126.69 133.73 50.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.200000000000003 110.983 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 13.7 tp -131.34 100.96 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 54.25 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -112.55 154.66 44.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 73.040000000000006 109.344 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.13 15.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.475 1.776 . . . . 72.340000000000003 110.991 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.76 18.33 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 61.200000000000003 109.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -124.63 2.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 62.530000000000001 109.251 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 56' ' ' THR . 4.8 tt -94.25 155.88 16.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.319999999999993 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 16.4 p -108.89 164.37 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 63.409999999999997 110.431 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.7 t -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.23 -57.6 2.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 72.420000000000002 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 42.5 mm-40 -45.38 -46.6 13.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 74.549999999999997 110.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 19.3 t80 -52.78 -50.0 64.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.319999999999993 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' CG2' HG12 ' A' ' 78' ' ' ILE . 16.2 t -48.77 -30.9 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 73.319999999999993 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.4 t80 -82.86 -31.61 27.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 74.400000000000006 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 t -58.31 -50.91 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 64.109999999999999 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.515 HD13 ' CE2' ' A' ' 60' ' ' PHE . 2.2 mp -59.63 -51.23 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.129999999999995 109.287 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' MET . 31.5 ttm-85 -42.42 -29.04 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.142 . . . . 75.549999999999997 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -79.3 -46.16 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 71.349999999999994 109.326 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -58.6 -31.06 67.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.439999999999998 110.281 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.4 pt -107.21 -5.12 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.0 ptp 41.68 48.93 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 72.109999999999999 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.76 156.52 88.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 63.119999999999997 109.268 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 75.120000000000005 111.0 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 74.140000000000001 111.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -95.08 -35.93 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 73.219999999999999 110.275 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.02 177.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 75.099999999999994 109.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.41 109.03 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 71.120000000000005 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 2.5 tt -108.08 142.61 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -123.0 139.9 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 75.209999999999994 110.965 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.486 ' CD1' ' N ' ' A' ' 78' ' ' ILE . 1.4 mm -96.1 131.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.099999999999994 109.288 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 54.4 m-85 -126.25 117.66 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.150000000000006 111.001 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.415 ' CG1' ' CE1' ' A' ' 98' ' ' HIS . 1.3 p -110.75 131.63 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 71.340000000000003 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.647 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 3.1 m-80 45.44 64.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 74.299999999999997 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 40.49 36.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 74.140000000000001 109.282 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -136.27 179.09 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 64.439999999999998 110.369 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 79' ' ' PHE . 2.9 tp -139.72 99.69 7.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 71.209999999999994 109.332 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 164.08 34.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 75.25 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.14 37.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 74.109999999999999 110.967 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -79.65 -0.9 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 72.450000000000003 110.388 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.5 -30.58 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 63.030000000000001 109.355 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.13 142.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 73.200000000000003 109.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 tp -94.52 136.57 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.453 ' O ' ' CD1' ' A' ' 29' ' ' ILE . 72.3 mmm -61.99 -12.63 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.439999999999998 110.991 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -78.75 -49.76 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 73.450000000000003 110.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.74 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 74.510000000000005 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.527 HG22 ' CD2' ' A' ' 98' ' ' HIS . 17.3 mm -63.22 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 74.519999999999996 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.598 ' CD2' ' CD1' ' A' ' 105' ' ' LEU . 3.0 t80 -56.16 -21.9 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.63 -38.38 86.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 72.400000000000006 110.235 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -110.87 -0.73 16.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 72.120000000000005 110.287 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.647 ' HD1' ' ND2' ' A' ' 81' ' ' ASN . 92.8 m-70 -119.33 27.27 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 62.109999999999999 109.557 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -101.67 131.74 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 75.209999999999994 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -90.47 179.97 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 72.439999999999998 109.333 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -63.94 -15.54 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 75.540000000000006 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -92.96 -15.21 26.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 74.120000000000005 109.294 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.51 -51.4 1.38 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.471 1.107 . . . . 73.420000000000002 110.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 2.3 m-85 -46.15 172.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 74.239999999999995 110.991 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.598 ' CD1' ' CD2' ' A' ' 95' ' ' TYR . 2.8 mp -113.98 155.87 25.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 52.520000000000003 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -125.24 105.62 9.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 74.5 110.976 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.46 HG23 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -132.65 160.94 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.443 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 6.3 m -143.94 130.85 20.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 63.149999999999999 110.385 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.48 ' CD1' HD13 ' A' ' 76' ' ' ILE . 6.7 p90 -101.5 152.67 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 71.319999999999993 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.5 p -158.57 123.62 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 61.020000000000003 109.999 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -45.46 -24.96 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 75.019999999999996 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.09 159.73 15.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 75.549999999999997 110.299 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -96.33 69.61 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 73.430000000000007 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.546 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 3.3 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 63.119999999999997 110.382 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 85.8 mtm180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.298 -0.26 . . . . 73.239999999999995 110.298 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -48.03 -32.89 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 72.420000000000002 109.335 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.71 -39.06 80.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 62.149999999999999 109.278 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 12.0 tt0 -58.17 -26.87 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 71.439999999999998 110.243 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -87.59 -21.07 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 65.340000000000003 109.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.05 -38.76 69.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 63.310000000000002 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 10.3 ptt85 -74.58 -43.56 55.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 72.400000000000006 110.297 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.501 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 1.8 mt -60.94 -21.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 75.519999999999996 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.12 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 52.329999999999998 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.2 -14.91 34.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 73.310000000000002 109.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.588 ' CG ' ' CE2' ' A' ' 25' ' ' PHE . 8.6 tpt180 -101.57 -61.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 75.099999999999994 110.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CE2' ' CG ' ' A' ' 24' ' ' ARG . 1.6 m-85 -136.97 89.99 16.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 75.310000000000002 111.012 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.67 10.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.319999999999993 110.993 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -107.17 12.23 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 73.439999999999998 109.268 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -100.1 175.53 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 75.109999999999999 110.324 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.469 HG21 ' CD1' ' A' ' 105' ' ' LEU . 3.0 mt -136.11 96.44 12.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 75.400000000000006 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.4 2.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 73.349999999999994 110.989 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 60' ' ' PHE . 2.0 t -87.86 129.77 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 75.209999999999994 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 104' ' ' PHE . 0.2 OUTLIER -110.3 107.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 75.040000000000006 109.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.456 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -95.72 129.22 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 72.430000000000007 108.269 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 108' ' ' THR . 23.9 mt-10 -113.7 118.35 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 74.349999999999994 110.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.15 133.75 56.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.129999999999995 109.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -66.52 119.52 11.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 73.430000000000007 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -45.78 -39.62 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 75.400000000000006 110.264 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' SER . 28.8 mttm -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 75.129999999999995 109.294 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -39.47 134.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 72.299999999999997 109.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -96.95 27.69 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 74.400000000000006 109.336 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.528 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -99.95 162.19 21.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 74.150000000000006 109.314 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.39 17.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 74.450000000000003 110.985 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.72 170.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 4.3 pt -119.21 173.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 63.450000000000003 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.72 -61.82 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 74.420000000000002 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -146.75 163.45 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 74.540000000000006 109.285 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 52.0 mtt85 -101.75 101.19 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 75.140000000000001 110.301 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.56 133.18 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.340000000000003 109.329 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.456 ' CE2' ' CB ' ' A' ' 33' ' ' CYS . 89.9 m-85 -145.95 93.85 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 72.219999999999999 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -89.8 96.52 10.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 73.010000000000005 109.34 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.82 151.84 43.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 74.299999999999997 109.259 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.12 15.06 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 74.439999999999998 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.21 14.15 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 51.409999999999997 109.319 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -124.4 7.25 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.331 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 51' ' ' VAL . 5.9 tt -96.65 155.2 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.310000000000002 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 p -108.78 154.92 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 74.530000000000001 110.387 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.8 t -49.33 -38.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.485 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -40.18 -48.7 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 71.120000000000005 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 22.3 mm-40 -64.83 -49.32 71.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 75.230000000000004 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 31' ' ' VAL . 1.4 t80 -48.2 -51.59 24.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 111.039 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.58 -21.68 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 74.140000000000001 109.267 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -77.57 -61.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.439999999999998 111.044 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 60' ' ' PHE . 4.0 m -40.4 -43.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 74.340000000000003 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -56.25 -57.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 75.540000000000006 109.3 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -47.24 -24.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 62.439999999999998 110.317 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.5 -45.21 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 75.430000000000007 109.241 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -57.93 -26.41 62.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 110.278 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.3 pt -111.23 -10.69 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 72.219999999999999 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 14.6 ptp 42.38 45.95 3.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.120000000000005 111.037 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.404 HD22 ' CD1' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -66.29 160.61 64.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 75.049999999999997 109.266 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 168.37 24.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.807 . . . . 75.099999999999994 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.08 9.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 72.019999999999996 110.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.57 -35.28 11.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.420000000000002 110.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -64.13 166.77 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 72.420000000000002 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.18 112.14 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 70.140000000000001 109.273 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 2.2 tt -104.19 165.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 73.209999999999994 109.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -156.59 141.02 16.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 72.040000000000006 111.02 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 9.3 mm -88.56 160.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 71.030000000000001 109.251 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 84' ' ' LEU . 65.1 m-85 -149.39 116.08 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.140000000000001 111.001 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.601 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.4 m -116.85 126.28 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 64.540000000000006 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.532 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 6.0 m-80 50.64 57.8 6.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 65.230000000000004 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 44.89 47.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 74.319999999999993 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -140.11 -173.5 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 65.200000000000003 110.397 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -144.0 95.0 5.75 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 75.230000000000004 109.283 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.59 42.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 75.439999999999998 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 72.340000000000003 111.025 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.485 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -86.06 -9.99 55.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 110.353 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.59 16.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 74.010000000000005 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.97 140.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 74.400000000000006 109.317 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tp -90.1 134.36 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 74.450000000000003 109.262 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.46 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -60.9 -17.27 49.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 74.340000000000003 111.009 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -73.27 -48.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 73.409999999999997 109.972 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -40.82 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 72.329999999999998 109.281 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' HIS . 19.4 mm -54.84 -57.0 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 70.310000000000002 109.263 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.583 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.8 t80 -62.88 -31.78 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -67.78 -26.91 66.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 110.263 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -110.98 -1.44 16.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 72.420000000000002 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.601 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 96.5 m-70 -126.19 19.47 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 61.409999999999997 109.565 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -84.47 137.37 33.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 75.239999999999995 109.276 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.61 179.94 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 71.519999999999996 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.0 -61.97 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 74.230000000000004 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -47.71 -46.22 29.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 65.030000000000001 109.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 3.86 9.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.536 1.147 . . . . 74.140000000000001 110.974 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.559 ' CE1' HD11 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -94.19 132.94 38.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 74.430000000000007 110.99 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.583 HD12 ' CD1' ' A' ' 95' ' ' TYR . 6.0 mt -79.74 149.41 31.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.409999999999997 109.268 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 104' ' ' PHE . 98.3 m-85 -133.58 116.17 15.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 72.420000000000002 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 108' ' ' THR . 2.1 p -140.94 165.63 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 75.219999999999999 109.306 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 3.5 m -144.87 139.91 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 73.519999999999996 110.359 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.528 ' CE2' HD12 ' A' ' 41' ' ' ILE . 14.3 p90 -126.69 152.72 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.239999999999995 111.046 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.0 t -144.41 169.26 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 71.150000000000006 109.984 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.63 21.78 24.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 73.540000000000006 111.044 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.3 157.35 43.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 72.329999999999998 110.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.406 ' ND2' HD13 ' A' ' 84' ' ' LEU . 2.3 t-20 -93.92 70.58 4.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 74.299999999999997 109.29 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.481 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 4.2 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 74.129999999999995 110.376 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 25.3 mtt-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.335 -0.246 . . . . 75.109999999999999 110.335 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -41.59 -42.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 75.329999999999998 109.343 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.75 -60.21 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.109999999999999 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.65 -43.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 110.334 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -63.44 -46.6 85.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.019999999999996 109.965 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ALA . 7.4 mm-40 -50.96 -27.16 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 63.340000000000003 110.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -79.47 -50.85 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.402 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 19.3 mt -60.33 -24.83 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 72.329999999999998 109.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.51 -26.77 34.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 74.129999999999995 109.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.2 -15.03 32.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.246 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -105.72 -62.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 73.439999999999998 110.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 6.3 m-85 -121.95 76.29 39.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.319999999999993 111.027 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 74.25 110.977 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -102.84 14.34 32.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 74.120000000000005 109.256 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.4 mmt-85 -115.49 -177.93 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 75.129999999999995 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' VAL . 33.9 mt -147.69 91.44 4.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.319999999999993 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.469 ' CA ' HD21 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.95 100.9 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 73.230000000000004 111.03 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.433 HG13 ' CE1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -85.54 163.85 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 65.400000000000006 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.541 ' CG2' ' NH2' ' A' ' 47' ' ' ARG . 18.5 mm -133.64 92.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 74.519999999999996 109.289 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 109' ' ' TYR . 1.7 m -93.26 157.37 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 63.420000000000002 108.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' O ' ' CG2' ' A' ' 108' ' ' THR . 1.7 pt-20 -146.72 118.85 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 75.019999999999996 110.3 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -57.12 132.56 53.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 109.327 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.94 109.91 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 72.430000000000007 109.272 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 15.6 pt-20 -42.62 -47.86 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 71.319999999999993 110.316 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.36 -47.07 9.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 74.209999999999994 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.4 ' OG ' ' OG ' ' A' ' 110' ' ' SER . 0.7 OUTLIER -49.26 170.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 63.020000000000003 109.978 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.32 15.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 109.304 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -72.68 160.41 82.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.409999999999997 109.276 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 126.88 10.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 75.049999999999997 110.985 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.66 158.38 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 62.25 110.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 68' ' ' ILE . 47.4 pt -111.56 -174.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 71.230000000000004 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -82.48 -53.06 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 73.25 109.289 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.57 173.18 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.230000000000004 109.319 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.541 ' NH2' ' CG2' ' A' ' 32' ' ' ILE . 2.1 ptm180 -117.8 101.31 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 71.420000000000002 110.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 127.16 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 73.239999999999995 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CD1' HG12 ' A' ' 63' ' ' VAL . 75.8 m-85 -145.15 98.7 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 74.530000000000001 110.971 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD21 ' CA ' ' A' ' 30' ' ' PRO . 11.8 mt -88.2 97.14 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 73.530000000000001 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.44 150.31 40.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 74.019999999999996 109.277 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.6 14.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 74.319999999999993 110.986 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.5 17.54 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 64.129999999999995 109.314 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -124.62 1.9 8.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 72.409999999999997 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 56' ' ' THR . 6.9 tt -89.93 156.34 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -108.05 159.59 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.319999999999993 110.398 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' PHE . 92.0 t -54.04 -47.37 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 60.299999999999997 109.324 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.05 -56.22 2.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 73.349999999999994 111.004 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -49.27 -41.6 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 74.409999999999997 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' VAL . 2.7 t80 -56.23 -60.47 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 73.530000000000001 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -40.68 -29.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 62.43 109.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.446 ' N ' ' C ' ' A' ' 60' ' ' PHE . 10.6 t80 -86.05 -43.43 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.209999999999994 111.037 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 49' ' ' TYR . 15.4 t -55.5 -38.02 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 65.549999999999997 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' ARG . 3.6 mp -68.47 -57.83 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 75.200000000000003 109.301 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' MET . 24.8 ttp180 -39.01 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 74.409999999999997 110.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -73.62 -53.12 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 73.319999999999993 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -51.31 -21.11 1.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.431 1.082 . . . . 74.239999999999995 110.28 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.448 ' CD1' HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -108.13 -21.16 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.219999999999999 109.284 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ARG . 1.1 mtt 68.52 27.08 6.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.510000000000005 110.969 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -64.05 156.12 75.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 75.329999999999998 109.316 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.54 20.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 74.239999999999995 110.975 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -3.24 13.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.821 . . . . 75.209999999999994 111.017 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -91.63 -35.28 14.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.409999999999997 110.279 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 172.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 71.340000000000003 109.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.31 106.06 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.329999999999998 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.446 ' CD1' HD13 ' A' ' 68' ' ' ILE . 2.8 tt -100.33 132.2 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 74.430000000000007 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 112' ' ' GLU . 23.6 m-85 -105.56 146.71 29.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 75.5 110.994 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.437 HG22 ' CG2' ' A' ' 107' ' ' VAL . 3.4 mm -109.43 139.41 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 72.040000000000006 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 94.6 m-85 -124.99 111.24 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 110.946 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.507 HG11 ' CG ' ' A' ' 98' ' ' HIS . 41.2 t -98.49 121.71 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 75.219999999999999 109.316 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' VAL . 9.6 m-80 40.35 53.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 74.209999999999994 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 56.04 43.85 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.420000000000002 109.274 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.561 HG21 ' CE1' ' A' ' 98' ' ' HIS . 0.6 OUTLIER -142.18 155.73 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 63.340000000000003 110.399 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.442 HD13 ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -127.48 92.27 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 75.25 109.31 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.93 25.95 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.463 1.77 . . . . 75.409999999999997 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 173.2 14.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.536 1.809 . . . . 60.43 110.983 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.63 -11.27 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.030000000000001 110.377 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -26.71 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 53.130000000000003 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 94' ' ' ILE . . . -45.96 139.66 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.310000000000002 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 tp -88.96 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 65.209999999999994 109.292 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 81.2 mmm -66.4 -9.31 32.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 71.530000000000001 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.9 t -86.31 -43.11 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 72.049999999999997 109.999 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.97 -28.39 32.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 73.319999999999993 109.29 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.467 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 15.7 mm -70.01 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.519999999999996 109.292 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 1.8 t80 -58.33 -25.46 61.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 61.450000000000003 111.03 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -71.1 -35.67 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.219999999999999 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -99.43 -1.89 37.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 73.439999999999998 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.561 ' CE1' HG21 ' A' ' 83' ' ' THR . 30.1 m-70 -126.06 10.76 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 109.594 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.17 134.45 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 72.239999999999995 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -78.3 178.57 7.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.242 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -80.02 -15.52 57.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 73.319999999999993 109.293 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -104.43 10.73 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.010000000000005 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.81 -59.84 3.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 63.240000000000002 111.019 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -44.15 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 74.540000000000006 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD11 ' CD2' ' A' ' 95' ' ' TYR . 8.1 tp -115.05 122.12 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 75.450000000000003 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.0 114.75 27.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 110.977 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.478 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -140.56 159.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 62.439999999999998 109.31 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 52.6 m -143.9 125.69 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.209999999999994 110.368 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 5.5 p90 -107.4 155.63 19.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 75.040000000000006 111.005 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.4 ' OG ' ' OG ' ' A' ' 39' ' ' SER . 14.4 t -151.85 133.28 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 62.43 109.977 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -48.41 -25.9 4.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 72.230000000000004 111.036 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 17.1 pt-20 -91.21 -179.48 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 70.349999999999994 110.306 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 10.8 t-20 -119.6 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 65.019999999999996 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.59 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.0 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 71.0 110.394 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.305 -0.258 . . . . 74.430000000000007 110.305 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -64.97 -24.46 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.329999999999998 109.271 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.7 -52.43 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.049999999999997 109.321 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -54.53 -33.77 60.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 73.109999999999999 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -69.77 -42.7 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.010000000000005 109.983 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -50.33 -33.69 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 110.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -79.31 -52.69 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 74.329999999999998 110.235 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.426 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 15.9 mt -58.37 -21.4 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 71.129999999999995 109.284 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.43 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.109999999999999 109.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.84 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 75.530000000000001 109.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 27.3 tpt180 -99.61 -58.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 72.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 10.8 m-85 -122.78 75.12 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 72.409999999999997 110.982 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 75.230000000000004 110.994 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -104.76 -6.09 20.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 75.530000000000001 109.301 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 71.2 mmt-85 -93.82 -177.9 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 110.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.487 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 23.2 mt -148.51 92.56 4.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 73.040000000000006 109.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.1 Cg_endo -75.06 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 71.519999999999996 110.97 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.474 HG13 ' CE1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -85.67 160.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 64.120000000000005 109.257 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 104' ' ' PHE . 7.7 mm -135.55 92.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 74.329999999999998 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.3 p -94.56 155.33 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 72.310000000000002 108.255 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 108' ' ' THR . 9.6 mt-10 -140.56 120.77 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 72.140000000000001 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -58.42 134.77 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 109.349 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.34 121.92 18.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 74.430000000000007 109.296 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.3 pt-20 -56.77 -42.47 79.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 54.219999999999999 110.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -58.78 -24.52 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 72.140000000000001 109.269 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.24 176.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.450000000000003 109.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -133.01 15.1 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 64.530000000000001 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.4 163.17 55.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 123.25 7.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 75.25 110.959 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.32 170.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 110.284 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 7.9 pt -117.74 -174.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 73.450000000000003 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -77.15 -57.1 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 74.519999999999996 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.61 169.24 22.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.219999999999999 109.328 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -108.77 101.73 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 53.350000000000001 110.268 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -159.07 109.51 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.289 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.694 ' CE1' ' CG1' ' A' ' 63' ' ' VAL . 33.2 m-85 -133.6 93.84 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 74.530000000000001 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 5.8 tp -84.1 98.03 9.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 71.109999999999999 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -110.23 155.17 42.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 71.219999999999999 109.296 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.57 14.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 60.310000000000002 111.058 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . . . -88.71 18.33 4.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 55.200000000000003 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -119.29 -4.16 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.420000000000002 109.325 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.435 ' CD1' HG13 ' A' ' 51' ' ' VAL . 8.3 tt -85.64 158.53 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.099999999999994 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.412 ' N ' HD21 ' A' ' 55' ' ' LEU . 11.6 p -118.61 156.1 29.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 74.299999999999997 110.427 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 50.9 t -43.6 -48.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 65.329999999999998 109.305 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -62.18 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 72.329999999999998 111.03 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.31 -58.76 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 74.450000000000003 110.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' A' ' 64' ' ' ILE . 29.0 t80 -45.59 -53.66 8.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 73.530000000000001 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.9 t -42.92 -35.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 75.109999999999999 109.33 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.4 -42.0 21.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.200000000000003 110.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.694 ' CG1' ' CE1' ' A' ' 49' ' ' TYR . 3.3 t -46.11 -45.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.109999999999999 109.265 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 60' ' ' PHE . 1.9 mp -66.02 -49.94 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 73.519999999999996 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.6 ttm180 -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 74.340000000000003 110.285 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 75.239999999999995 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 2.1 mmp_? -55.77 -30.9 62.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 73.25 110.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.47 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.9 pt -102.99 -12.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.109999999999999 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.7 ptp 41.39 49.59 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 73.129999999999995 110.968 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -70.08 157.19 90.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.530000000000001 109.272 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.52 22.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 64.230000000000004 110.962 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.37 11.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 74.129999999999995 111.022 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.55 -27.8 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 73.409999999999997 110.317 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 177.88 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.540000000000006 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.16 106.58 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 75.329999999999998 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.462 ' CD1' HD11 ' A' ' 68' ' ' ILE . 5.1 tt -108.07 164.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.140000000000001 109.342 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.429 ' CE2' ' ND2' ' A' ' 113' ' ' ASN . 79.6 m-85 -153.63 136.69 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 72.439999999999998 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.474 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.0 mm -93.56 145.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.310000000000002 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 114' ' ' THR . 3.2 m-85 -129.99 133.45 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 110.991 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 85' ' ' PRO . 2.4 p -117.13 132.56 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.409999999999997 109.298 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 1.7 m-80 49.56 48.43 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.239999999999995 109.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.31 29.27 14.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.230000000000004 109.319 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -130.33 -173.5 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.310000000000002 110.4 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -133.74 100.65 13.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.140000000000001 109.293 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.4 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.79 . . . . 75.129999999999995 111.016 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 161.61 38.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 72.030000000000001 110.963 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.99 4.39 34.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.030000000000001 110.366 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.71 -16.71 13.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 64.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.0 144.75 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 70.409999999999997 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tp -95.14 130.7 41.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.25 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 87.6 mmm -58.35 -15.83 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 64.209999999999994 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.3 p -74.13 -49.35 24.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 110.034 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.42 65.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 98' ' ' HIS . 17.4 mm -68.03 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 73.420000000000002 109.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.581 ' CD2' ' CD2' ' A' ' 105' ' ' LEU . 2.3 t80 -58.8 -16.33 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 71.409999999999997 110.98 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -74.89 -36.27 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.450000000000003 110.305 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.82 -0.8 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 64.510000000000005 110.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.497 ' HD1' ' ND2' ' A' ' 81' ' ' ASN . 47.4 m-70 -116.66 19.75 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 75.219999999999999 109.596 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 127.52 35.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 71.239999999999995 109.3 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.34 179.82 4.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.430000000000007 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -65.39 -31.75 73.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.140000000000001 109.284 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.77 -19.2 64.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.129999999999995 109.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.19 -7.27 82.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 75.049999999999997 110.957 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CD1' HG13 ' A' ' 32' ' ' ILE . 2.1 m-85 -97.19 177.81 5.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 72.329999999999998 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.581 ' CD2' ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -106.48 154.9 20.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 72.430000000000007 109.305 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -121.15 103.75 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 75.109999999999999 111.023 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -135.09 163.83 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.109999999999999 109.302 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 79' ' ' PHE . 55.2 m -153.9 118.31 4.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.219999999999999 110.401 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 35' ' ' LYS . 19.7 p90 -101.56 155.14 18.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 75.209999999999994 111.005 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.452 ' O ' ' CG1' ' A' ' 76' ' ' ILE . 4.1 t -154.68 169.74 23.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 60.25 109.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.09 -2.5 90.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.555 1.159 . . . . 74.209999999999994 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -105.99 166.56 10.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 72.409999999999997 110.336 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.429 ' ND2' ' CE2' ' A' ' 77' ' ' PHE . 26.4 t-20 -103.96 54.88 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 2.8 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 74.010000000000005 110.371 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.278 -0.267 . . . . 75.120000000000005 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -84.17 -41.41 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.340000000000003 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.52 84.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 75.420000000000002 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 7.1 pt-20 -64.06 -34.12 77.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.236 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.564 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -84.9 -11.27 55.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.25 110.001 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' LYS . 4.3 mm-40 -79.93 -35.8 37.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 74.510000000000005 110.272 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 1.9 ptp180 -77.81 -43.36 30.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 75.299999999999997 110.325 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 4.5 mt -70.15 -18.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 75.439999999999998 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.44 -44.54 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 109.331 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.67 -42.21 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 75.129999999999995 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.52 -55.02 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 73.129999999999995 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 1.8 m-85 -134.11 83.22 45.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 74.349999999999994 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.13 9.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 75.340000000000003 110.988 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.516 ' N ' HD21 ' A' ' 27' ' ' ASN . 1.7 m-80 -96.93 -5.68 37.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 75.430000000000007 109.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 9.2 mmp_? -89.23 -177.97 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 73.239999999999995 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 53' ' ' ALA . 4.3 mt -147.49 91.48 5.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.239999999999995 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.55 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.5 Cg_endo -74.94 86.63 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 74.219999999999999 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.9 t -85.71 145.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.120000000000005 109.341 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG1' ' CD2' ' A' ' 104' ' ' PHE . 1.7 mm -111.95 91.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.340000000000003 109.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -70.52 157.07 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 71.109999999999999 108.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 107' ' ' VAL . 12.8 mp0 -126.13 156.91 39.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 75.230000000000004 110.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 41' ' ' ILE . 4.0 tptm -97.5 132.42 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 73.400000000000006 109.304 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.59 107.91 20.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 75.329999999999998 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 12.4 pt-20 -69.06 -43.65 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 65.510000000000005 110.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 5.5 mmmt -45.53 -31.53 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.450000000000003 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t -72.99 169.55 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 74.140000000000001 109.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.14 32.36 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 75.209999999999994 109.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.561 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -108.59 153.7 42.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 72.129999999999995 109.255 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.54 38.43 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 74.400000000000006 110.958 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -79.2 167.64 20.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 75.239999999999995 110.338 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 6.7 pt -111.06 179.24 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 74.310000000000002 109.333 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.434 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -78.29 -52.13 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 74.109999999999999 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -156.62 -174.32 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 70.140000000000001 109.336 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.48 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -120.73 103.95 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 73.310000000000002 110.306 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -158.81 111.18 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 73.209999999999994 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 33' ' ' CYS . 69.6 m-85 -136.75 94.97 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 72.310000000000002 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.423 ' CD1' ' HG3' ' A' ' 28' ' ' ARG . 1.7 tm? -88.56 93.43 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 70.219999999999999 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.9 153.7 44.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 72.129999999999995 109.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 71.329999999999998 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . . . -90.25 19.1 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.340000000000003 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -124.49 1.97 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 73.010000000000005 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 56' ' ' THR . 5.5 tt -92.21 155.47 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 74.450000000000003 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 13.4 p -105.1 160.73 14.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 75.540000000000006 110.377 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.6 t -51.16 -43.53 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 75.430000000000007 109.283 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.18 -63.44 2.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 70.239999999999995 110.992 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 9.7 mm100 -44.76 -47.89 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 65.209999999999994 110.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 64' ' ' ILE . 16.3 t80 -59.6 -40.73 88.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 74.510000000000005 111.0 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.444 ' CG2' HG13 ' A' ' 78' ' ' ILE . 14.8 t -60.07 -16.58 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 72.299999999999997 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 111.013 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.18 -38.52 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.559 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.7 mp -69.23 -46.93 76.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 75.420000000000002 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.4 ttp180 -54.3 -18.83 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 72.140000000000001 110.301 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -50.48 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 73.230000000000004 109.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.466 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 3.5 mmp_? -54.05 -27.2 30.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.549999999999997 110.348 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.472 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.2 pt -108.0 -15.17 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.430000000000007 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.9 ptp 41.35 50.37 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 73.109999999999999 110.973 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.55 161.41 44.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 73.140000000000001 109.247 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.35 40.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 63.009999999999998 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.782 . . . . 63.130000000000003 111.029 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -98.49 -20.57 17.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 72.129999999999995 110.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -84.82 172.34 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 65.109999999999999 109.287 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.25 111.74 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 64.329999999999998 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 68' ' ' ILE . 2.5 tt -103.12 157.2 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 74.319999999999993 109.272 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE2' ' ND2' ' A' ' 113' ' ' ASN . 57.1 m-85 -137.15 167.51 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.450000000000003 110.976 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.503 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 5.1 mm -123.77 133.89 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 73.439999999999998 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 84' ' ' LEU . 3.8 m-85 -120.97 151.55 39.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.010000000000005 111.016 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.0 OUTLIER -145.01 122.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 63.119999999999997 109.284 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.584 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 6.9 m-80 60.43 38.5 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 75.439999999999998 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.57 38.23 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 65.030000000000001 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -133.16 -173.72 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.400000000000006 110.374 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 79' ' ' PHE . 1.5 tt -141.9 93.08 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 74.040000000000006 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.92 40.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 74.310000000000002 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.89 30.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 70.430000000000007 110.993 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -80.12 -13.77 59.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 71.420000000000002 110.402 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.43 -28.8 24.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.239999999999995 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -44.33 138.26 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 63.43 109.25 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 tp -88.13 137.75 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 109.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 mmm -67.57 -8.21 32.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.109999999999999 111.012 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -89.4 -40.51 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 109.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.79 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 71.510000000000005 109.274 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.476 HG21 ' CD2' ' A' ' 98' ' ' HIS . 13.1 mm -65.39 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.200000000000003 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 1.6 t80 -59.51 -23.45 62.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 73.549999999999997 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.91 -36.6 84.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 75.349999999999994 110.297 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.8 -0.68 16.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 74.439999999999998 110.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.584 ' HD1' ' ND2' ' A' ' 81' ' ' ASN . 86.4 m-70 -114.01 -7.06 13.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 75.099999999999994 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.83 140.4 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 74.349999999999994 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.428 ' HB2' ' CD1' ' A' ' 106' ' ' TYR . 5.0 t0 -96.92 179.81 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.519999999999996 109.279 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -73.24 -21.79 60.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 73.420000000000002 109.234 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.9 15.12 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 64.519999999999996 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.89 -55.25 3.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 75.349999999999994 110.959 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 18' ' ' SER . 2.0 m-85 -51.31 -175.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 72.129999999999995 111.025 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.7 tp -120.23 159.27 25.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 74.519999999999996 109.303 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -129.07 101.35 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 75.5 111.031 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.503 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -130.43 153.51 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 63.520000000000003 109.36 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.0 m -138.55 132.62 31.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 75.409999999999997 110.431 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.561 ' CE1' HD12 ' A' ' 41' ' ' ILE . 53.3 p90 -101.6 147.41 26.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 110.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.9 m -140.24 143.47 36.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 71.140000000000001 110.029 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.5 -7.87 48.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 54.439999999999998 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 12.1 tp10 -105.97 165.58 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 74.129999999999995 110.286 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.572 ' ND2' ' CE2' ' A' ' 77' ' ' PHE . 34.6 t-20 -101.24 62.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 72.230000000000004 109.299 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.527 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 52.2 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 75.219999999999999 110.382 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.501 0.191 . . . . 72.140000000000001 110.959 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -121.35 -49.29 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 73.299999999999997 109.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -140.74 136.3 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 75.319999999999993 110.028 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.9 p -117.71 -4.59 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 75.439999999999998 110.408 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -69.19 -38.41 78.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 75.25 110.992 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.75 -35.9 20.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 65.219999999999999 109.248 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.2 t -77.13 -63.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 75.230000000000004 110.023 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 4' ' ' THR . 6.6 tt0 -60.76 -52.55 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 74.200000000000003 110.25 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.73 164.87 13.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.239999999999995 110.983 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 74.540000000000006 110.993 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 1.2 t80 -73.51 -31.23 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 73.420000000000002 111.007 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' ALA . 31.4 mt-10 -67.49 -51.62 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 72.329999999999998 110.287 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -42.76 -53.8 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 75.209999999999994 109.28 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -53.22 -57.48 10.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 110.273 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -58.53 -21.4 52.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 73.540000000000006 109.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -71.48 -60.22 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 62.43 109.324 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -46.85 -25.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.430000000000007 110.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 t -81.42 -41.31 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 65.230000000000004 110.014 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -49.81 -34.91 21.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 110.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -79.2 -42.98 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 75.019999999999996 110.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.8 mt -63.38 -21.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 75.540000000000006 109.34 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -41.23 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.409999999999997 109.295 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.72 -28.29 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 70.239999999999995 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.3 mmt180 -86.35 -52.17 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 73.230000000000004 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 2.3 m-85 -137.49 78.4 38.15 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 110.996 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 65.230000000000004 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.62 14.7 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 72.239999999999995 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.7 mpt_? -107.06 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 75.310000000000002 110.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' VAL . 12.4 mt -146.47 90.52 5.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 64.129999999999995 109.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -75.01 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 72.209999999999994 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.568 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 5.7 t -85.78 131.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.040000000000006 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.626 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -106.67 93.51 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.5 109.262 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.7 t -80.77 157.32 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 70.109999999999999 108.344 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 108' ' ' THR . 23.9 mt-10 -136.41 120.1 17.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 110.286 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' NZ ' ' OG ' ' A' ' 39' ' ' SER . 2.9 tmtt? -40.49 141.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 74.030000000000001 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 108' ' ' THR . . . -99.01 110.16 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 70.030000000000001 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 13.3 pt-20 -55.78 -47.71 76.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.209999999999994 110.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 4.6 mmmt -40.56 -57.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 72.340000000000003 109.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' NZ ' ' A' ' 35' ' ' LYS . 2.5 p -50.72 176.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 110.04 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -128.47 15.1 6.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 75.25 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.435 HG12 ' CE ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -74.25 162.02 75.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 74.030000000000001 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 130.42 13.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 72.040000000000006 111.016 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.93 170.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 72.420000000000002 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 4.9 pt -110.2 -172.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 73.450000000000003 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -88.84 -49.72 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 55.049999999999997 109.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -149.29 164.67 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 74.409999999999997 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -112.45 101.96 10.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 75.140000000000001 110.258 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -158.74 131.88 7.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 75.329999999999998 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 64' ' ' ILE . 61.2 m-85 -147.62 106.76 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 73.219999999999999 111.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 11.1 mt -103.47 93.48 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 65.030000000000001 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.87 156.18 42.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.329999999999998 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.07 15.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.507 1.793 . . . . 75.420000000000002 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.42 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 73.109999999999999 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -120.53 -2.67 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.530000000000001 109.306 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 5.7 tt -92.58 156.57 17.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.019999999999996 109.362 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.9 p -113.2 164.86 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.352 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -50.49 -41.49 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 74.510000000000005 109.282 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.444 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.81 -60.84 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 74.019999999999996 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.464 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 13.4 mt-30 -52.2 -53.1 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 73.25 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 31' ' ' VAL . 37.4 t80 -47.17 -55.99 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 62.299999999999997 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.41 ' CG2' HG12 ' A' ' 78' ' ' ILE . 19.9 t -45.08 -31.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 73.450000000000003 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -80.56 -48.81 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.140000000000001 111.042 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 t -47.59 -53.56 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 72.230000000000004 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 49' ' ' TYR . 1.8 mp -55.18 -45.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 73.299999999999997 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' MET . 16.0 ttm180 -52.56 -20.51 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 72.510000000000005 110.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 11.0 mmmm -80.3 -47.56 14.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.400000000000006 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 5.7 mmp_? -57.06 -27.71 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.219999999999999 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.499 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.3 pt -107.91 -12.77 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 60.299999999999997 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 13.7 ptp 40.56 51.55 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 74.040000000000006 110.977 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 68' ' ' ILE . 8.9 mt -64.54 164.37 20.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 63.32 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.29 38.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 72.409999999999997 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.91 19.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 65.099999999999994 111.021 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -91.36 -18.02 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.349999999999994 110.264 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -90.22 176.33 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 73.109999999999999 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.06 111.82 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 50.119999999999997 109.286 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.499 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 7.7 tt -98.44 157.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 70.409999999999997 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 113' ' ' ASN . 47.2 m-85 -135.34 146.31 48.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 73.239999999999995 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 107' ' ' VAL . 9.9 mm -96.42 148.83 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.430000000000007 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 114' ' ' THR . 41.4 m-85 -139.92 141.73 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 110.954 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.643 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -132.67 133.79 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.607 ' N ' HD21 ' A' ' 81' ' ' ASN . 1.3 m-80 50.69 43.84 27.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 74.519999999999996 109.276 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.7 40.93 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 71.400000000000006 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -135.24 -173.74 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.530000000000001 110.425 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 79' ' ' PHE . 3.4 tt -141.24 93.51 8.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 60.049999999999997 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 158.82 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 65.450000000000003 111.018 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.789 . . . . 74.120000000000005 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.444 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -79.54 -21.39 45.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 72.209999999999994 110.373 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.79 -35.01 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 73.430000000000007 109.247 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.04 139.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 71.519999999999996 109.32 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tp -90.63 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 74.109999999999999 109.274 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.6 mmm -63.72 -12.8 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.409999999999997 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -88.52 -41.08 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 72.019999999999996 109.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.49 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 71.150000000000006 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.572 ' CG2' ' CD2' ' A' ' 98' ' ' HIS . 18.3 mm -64.79 -61.28 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 64.120000000000005 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.1 t80 -55.85 -24.85 39.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.79 -40.09 94.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.409999999999997 110.334 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.8 -0.74 23.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 70.329999999999998 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.643 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 80.5 m-70 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 75.439999999999998 109.583 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -52.73 145.2 12.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.32 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.41 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 1.9 t70 -100.72 180.0 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 73.540000000000006 109.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.37 -17.34 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 74.530000000000001 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -89.67 -15.05 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 64.019999999999996 109.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.6 -55.89 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 65.219999999999999 111.037 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.626 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -51.84 177.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 74.450000000000003 110.951 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.7 tp -116.94 157.57 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 75.209999999999994 109.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.79 101.12 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.349999999999994 111.026 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -126.49 163.94 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 70.150000000000006 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 77.1 m -147.42 136.5 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 53.520000000000003 110.422 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 109' ' ' TYR . 6.2 p90 -109.8 149.73 29.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 72.430000000000007 110.984 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -146.46 140.25 26.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 75.120000000000005 109.971 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.01 -16.42 32.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 50.32 110.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -106.25 157.85 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 75.549999999999997 110.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 38.8 t-20 -96.44 60.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.278 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.3 p -137.44 150.32 47.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 110.405 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.524 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 9.8 m-85 -85.0 -3.55 58.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 73.109999999999999 111.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 63.520000000000003 110.972 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.519 0.199 . . . . 73.310000000000002 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -120.78 -171.2 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 72.099999999999994 109.289 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -66.28 149.76 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.530000000000001 109.966 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 6' ' ' LYS . 3.0 p -96.29 -13.66 23.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 73.129999999999995 110.374 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CE2' ' NH1' ' A' ' 14' ' ' ARG . 3.9 m-30 -37.79 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 75.450000000000003 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' THR . 14.4 mtmt -68.3 -56.55 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 72.400000000000006 109.32 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -81.66 -66.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 73.340000000000003 110.024 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 2.9 mm-40 -39.63 -54.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 74.299999999999997 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -106.61 159.41 29.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 73.239999999999995 110.997 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.78 42.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.794 . . . . 75.540000000000006 111.032 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' C ' ' CD1' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -70.47 -25.99 63.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.519999999999996 111.003 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -75.94 -15.47 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 71.129999999999995 110.286 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -64.6 -64.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 72.329999999999998 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' NH1' ' CE2' ' A' ' 5' ' ' PHE . 17.3 mmm180 -55.9 -50.97 69.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.219999999999999 110.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -44.4 -44.37 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 73.030000000000001 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 18' ' ' SER . . . -64.89 -60.13 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.409999999999997 109.315 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 73.519999999999996 110.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' ALA . 28.3 t -82.74 -51.54 7.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 62.119999999999997 109.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -49.62 -27.09 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 75.200000000000003 110.302 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -81.87 -51.58 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.439999999999998 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.434 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 31.9 mt -60.82 -19.16 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 73.510000000000005 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.95 -37.02 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 63.149999999999999 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.3 -28.17 66.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 73.239999999999995 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.554 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.12 -49.13 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 110.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.1 m-85 -131.88 80.48 65.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.019999999999996 110.999 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.18 19.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 71.420000000000002 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -100.59 28.1 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 63.210000000000001 109.308 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 62.2 mmt-85 -125.25 -177.92 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.439999999999998 110.326 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 15.4 mt -147.99 91.22 4.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 72.450000000000003 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.0 90.45 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 71.310000000000002 111.008 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 105' ' ' LEU . 2.6 t -88.88 146.78 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 75.109999999999999 109.334 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -112.36 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 72.540000000000006 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.588 ' SG ' ' CE2' ' A' ' 109' ' ' TYR . 24.2 t -95.45 148.96 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 73.439999999999998 108.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -137.25 152.73 50.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 62.210000000000001 110.325 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.482 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 3.6 tmtt? -77.87 135.34 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 72.019999999999996 109.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.47 124.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 33.340000000000003 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.1 pt-20 -63.23 -47.78 81.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 74.420000000000002 110.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 6.5 mmmt -47.23 -41.36 18.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 73.5 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 177.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 73.430000000000007 110.001 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.81 22.15 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.040000000000006 109.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -91.13 157.31 43.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 71.120000000000005 109.326 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 138.06 22.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 75.310000000000002 110.973 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.69 169.42 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 72.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 8.9 pt -112.01 179.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 73.540000000000006 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -63.14 -62.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 72.439999999999998 109.326 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -152.87 -175.84 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 74.329999999999998 109.316 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.5 mtm-85 -110.4 101.91 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.200000000000003 110.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -158.76 104.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 74.129999999999995 109.262 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 76.3 m-85 -126.46 93.78 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 2.5 tp -95.46 94.82 8.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.150000000000006 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -112.56 155.52 43.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 74.209999999999994 109.291 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.15 15.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 75.530000000000001 110.996 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.3 17.12 6.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 73.439999999999998 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -114.11 -11.64 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 109.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 56' ' ' THR . 6.2 tt -85.78 156.56 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.540000000000006 109.347 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 12.0 p -113.69 167.22 10.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 110.386 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.7 -43.43 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -41.39 -62.7 1.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 72.25 110.956 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.461 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 5.2 mt-30 -45.42 -50.09 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 72.129999999999995 110.287 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.555 ' CE2' HD13 ' A' ' 64' ' ' ILE . 7.7 t80 -48.44 -48.01 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.150000000000006 110.977 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.0 t -51.87 -32.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 73.430000000000007 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -81.16 -50.46 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 110.982 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 t -46.87 -45.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 54.149999999999999 109.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.555 HD13 ' CE2' ' A' ' 60' ' ' PHE . 2.1 mp -64.78 -55.01 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 74.420000000000002 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' MET . 20.3 ttp180 -46.46 -24.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.530000000000001 110.313 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 64' ' ' ILE . 27.4 mmtp -79.63 -44.49 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 70.030000000000001 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.456 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 1.8 mmt-85 -62.6 -27.09 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 75.519999999999996 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.551 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.3 pt -107.83 -8.46 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 73.239999999999995 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' ARG . 12.4 ptp 39.61 54.13 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 74.150000000000006 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.6 mt -68.7 163.77 51.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 109.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 158.02 42.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 64.439999999999998 110.972 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.16 10.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 75.200000000000003 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -99.45 -17.2 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 72.150000000000006 110.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -91.69 176.94 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 74.530000000000001 109.258 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.22 110.36 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 73.519999999999996 109.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.559 HD11 ' CD1' ' A' ' 109' ' ' TYR . 10.5 tt -93.84 141.42 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 72.430000000000007 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 85.6 m-85 -109.46 165.87 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 72.340000000000003 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 84' ' ' LEU . 3.9 mm -122.58 134.87 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 75.209999999999994 109.264 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 84' ' ' LEU . 74.4 m-85 -130.81 131.93 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.209999999999994 110.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.52 ' CG2' ' ND1' ' A' ' 98' ' ' HIS . 1.5 p -135.23 140.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 64.549999999999997 109.267 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.465 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 2.0 m-80 49.54 32.93 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 73.209999999999994 109.326 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 64.23 36.87 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 74.409999999999997 109.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -137.32 -173.7 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 75.099999999999994 110.43 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -144.8 92.98 5.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 109.321 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.2 Cg_endo -75.0 169.11 23.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.759 . . . . 75.319999999999993 110.989 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 75.040000000000006 110.999 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.442 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 1.2 t -84.78 -19.94 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 62.43 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.38 42.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 64.5 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.86 139.75 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.349999999999994 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 tp -89.67 134.46 34.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 109.271 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.77 -15.83 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 75.140000000000001 110.945 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.2 p -81.79 -46.4 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.120000000000005 110.032 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.15 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.129999999999995 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.563 HG21 ' CD2' ' A' ' 98' ' ' HIS . 13.2 mm -69.02 -61.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 73.349999999999994 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 95' ' ' TYR . 2.2 t80 -59.41 -16.85 25.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 70.209999999999994 111.032 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -72.67 -38.82 67.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.519999999999996 110.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.58 -0.64 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 72.140000000000001 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.563 ' CD2' HG21 ' A' ' 94' ' ' ILE . 70.0 m-70 -108.41 -24.24 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 70.400000000000006 109.556 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -40.32 140.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 73.25 109.326 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.33 -179.96 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -72.86 -16.19 61.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 109.289 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.552 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 26.5 t70 -87.28 -20.51 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 73.040000000000006 109.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.17 -70.57 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 71.209999999999994 111.026 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 30' ' ' PRO . 1.8 m-85 -47.17 175.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 75.319999999999993 111.006 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 98' ' ' HIS . 7.7 tp -109.34 159.82 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 74.510000000000005 109.252 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.56 101.81 5.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 110.971 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.01 156.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 75.140000000000001 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.8 m -149.88 134.77 17.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.349999999999994 110.398 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.588 ' CE2' ' SG ' ' A' ' 33' ' ' CYS . 2.8 p90 -113.34 157.38 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 110.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.7 p -143.38 127.9 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.109999999999999 110.04 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -42.64 -27.13 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 70.319999999999993 111.012 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -106.41 162.46 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 75.239999999999995 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 11.5 t-20 -90.07 62.33 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 60.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.533 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 p -115.6 154.72 28.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 70.519999999999996 110.41 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -98.4 0.97 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 74.299999999999997 110.993 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 111.027 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtm . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.467 0.175 . . . . 74.349999999999994 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -111.24 -48.48 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 75.219999999999999 109.313 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.569 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 4.1 m -140.13 156.36 46.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 74.209999999999994 109.982 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.3 p -74.64 -21.69 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 72.140000000000001 110.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 3' ' ' SER . 0.7 OUTLIER -47.78 -27.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 65.120000000000005 111.002 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.505 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 pptp? -66.8 -40.0 87.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 74.5 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.407 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 19.8 t -102.44 -67.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 64.349999999999994 110.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -38.92 -35.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 75.25 110.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -121.84 92.31 48.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 73.319999999999993 111.058 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.99 19.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.554 1.818 . . . . 74.540000000000006 111.044 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -64.92 -72.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 75.019999999999996 110.987 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -38.98 -33.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 74.019999999999996 110.325 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -70.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 74.25 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 104' ' ' PHE . 5.4 ttm105 -41.09 -52.14 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 75.120000000000005 110.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -42.94 -55.1 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 74.349999999999994 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.48 -47.48 69.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 72.200000000000003 109.312 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -48.21 -47.17 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 75.109999999999999 110.265 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -67.13 -44.54 79.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 51.32 110.049 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.93 -27.18 17.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 71.040000000000006 110.301 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -79.65 -38.01 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 74.319999999999993 110.315 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mt -76.51 -22.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 73.439999999999998 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.07 -25.29 37.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 74.430000000000007 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -94.06 -15.55 24.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 71.530000000000001 109.334 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.74 -64.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 73.209999999999994 110.304 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.8 m-85 -120.44 80.2 29.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 73.329999999999998 111.0 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 75.120000000000005 110.992 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -95.99 16.12 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 70.310000000000002 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -115.54 179.79 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 74.409999999999997 110.339 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' VAL . 13.9 mt -150.19 90.35 4.4 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.230000000000004 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 74.430000000000007 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 t -91.72 130.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 72.109999999999999 109.278 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 3.5 mm -97.98 92.04 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 72.439999999999998 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.2 t -89.31 138.59 31.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 108.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 1.3 pt-20 -128.65 141.5 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.230000000000004 110.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 109' ' ' TYR . 2.4 tmtt? -76.66 143.1 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 74.319999999999993 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.18 134.12 34.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 74.319999999999993 109.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.72 -46.48 75.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 65.109999999999999 110.36 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.73 -28.17 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 71.230000000000004 109.289 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -176.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 75.150000000000006 109.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.34 15.95 4.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 74.230000000000004 109.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.36 154.52 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.230000000000004 109.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.61 13.4 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 55.43 110.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -63.38 170.89 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 64.430000000000007 110.286 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 3.1 pt -110.74 -175.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 63.439999999999998 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.28 -53.39 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.301 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -141.77 158.46 43.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 73.519999999999996 109.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CD ' ' HA ' ' A' ' 34' ' ' GLU . 28.3 mtm105 -107.94 101.89 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 75.340000000000003 110.328 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -158.74 124.47 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 71.439999999999998 109.283 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.477 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 92.9 m-85 -135.0 97.19 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 110.985 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 9.8 mt -94.32 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 74.420000000000002 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -113.24 155.65 44.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 72.400000000000006 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.497 1.788 . . . . 75.140000000000001 110.993 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 17.28 6.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 74.319999999999993 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -115.65 -9.05 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.549999999999997 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 56' ' ' THR . 6.9 tt -83.65 156.84 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 74.239999999999995 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -110.21 160.33 16.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 64.230000000000004 110.45 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.8 t -50.09 -50.01 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 73.530000000000001 109.295 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -61.09 1.45 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 64.109999999999999 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -43.21 -44.65 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 73.510000000000005 110.322 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CE1' HD11 ' A' ' 64' ' ' ILE . 4.5 t80 -55.32 -62.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 110.995 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -40.48 -32.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 72.409999999999997 109.299 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.84 -48.1 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 72.150000000000006 110.99 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' PHE . 2.6 t -45.88 -55.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 75.400000000000006 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 60' ' ' PHE . 2.3 mp -51.2 -52.14 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 74.510000000000005 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' MET . 22.7 ttm180 -45.55 -25.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 63.32 110.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -81.68 -42.69 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.445 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 1.3 mpt_? -60.77 -23.73 65.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.329999999999998 110.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.6 pt -116.51 -5.86 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 73.219999999999999 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.6 ptp 41.17 49.44 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 75.099999999999994 111.028 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -68.55 158.82 84.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 75.5 109.342 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.38 22.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 70.329999999999998 111.055 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.37 8.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.453 1.764 . . . . 73.409999999999997 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.78 -38.2 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 70.120000000000005 110.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 3.6 mttt -61.22 177.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 109.295 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.64 119.21 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 73.450000000000003 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.2 tt -112.36 154.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 109.302 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -140.21 155.1 47.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.349999999999994 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.462 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 3.3 mm -110.41 146.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 72.420000000000002 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.9 m-85 -137.53 121.59 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 75.120000000000005 111.013 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.568 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.0 OUTLIER -114.13 126.73 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 73.319999999999993 109.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 52.1 54.13 11.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 74.530000000000001 109.317 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t0 48.32 44.68 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 71.25 109.294 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -138.15 -173.63 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 72.319999999999993 110.38 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -146.45 92.5 5.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 75.109999999999999 109.318 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.05 36.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 74.209999999999994 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.72 22.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 60.039999999999999 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.4 -22.64 41.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 71.439999999999998 110.405 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.64 -34.21 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 73.310000000000002 109.273 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' HB3' ' CG1' ' A' ' 94' ' ' ILE . . . -40.54 137.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 74.420000000000002 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tp -89.55 137.29 32.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 73.319999999999993 109.308 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.7 mmm -63.91 -11.18 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 73.140000000000001 110.961 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -89.95 -42.59 11.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 72.540000000000006 109.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.13 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 61.109999999999999 109.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' A' ' 98' ' ' HIS . 16.2 mm -67.21 -61.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 75.140000000000001 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.8 t80 -56.57 -23.62 41.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 64.420000000000002 110.999 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.81 -41.0 92.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 72.219999999999999 110.255 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -105.32 -0.78 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.299999999999997 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.568 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 80.5 m-70 -112.03 -10.92 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.439999999999998 109.562 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.78 144.29 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 72.310000000000002 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 4.2 t70 -104.84 179.89 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 73.109999999999999 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -73.97 -15.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 74.140000000000001 109.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.84 12.51 31.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.305 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.6 -57.2 2.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 75.129999999999995 110.989 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 14' ' ' ARG . 3.7 m-85 -48.03 175.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 73.510000000000005 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 tp -123.08 122.43 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 73.230000000000004 109.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.39 118.88 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.540000000000006 111.018 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.489 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -142.54 163.33 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 74.120000000000005 109.315 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.489 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 6.6 m -141.85 134.39 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 63.240000000000002 110.378 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 35' ' ' LYS . 22.6 p90 -124.63 152.23 43.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 75.25 111.026 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -147.74 169.95 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 73.310000000000002 109.997 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.11 10.25 61.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 65.430000000000007 111.021 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -131.93 157.2 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 74.420000000000002 110.312 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -95.93 65.07 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.219999999999999 109.341 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.578 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 6.9 p -142.45 165.51 27.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.5 110.366 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -99.68 -5.94 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 73.200000000000003 110.984 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 64.129999999999995 110.991 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mmm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.488 0.185 . . . . 72.150000000000006 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -75.05 -67.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 74.329999999999998 109.316 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -86.89 150.7 23.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 75.310000000000002 109.984 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.4 p -123.4 -0.59 8.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.25 110.409 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.533 ' CZ ' ' HD2' ' A' ' 47' ' ' ARG . 7.4 m-85 -63.85 -41.75 97.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 75.299999999999997 111.01 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.63 -34.66 19.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 72.400000000000006 109.323 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.3 t -74.33 -67.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 64.200000000000003 110.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' THR . 17.7 tp10 -56.66 -49.25 75.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 74.200000000000003 110.307 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -111.79 156.89 40.91 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 75.230000000000004 111.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.05 19.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 62.229999999999997 110.977 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -78.99 -20.71 48.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 74.5 111.029 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -75.03 -50.35 16.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 74.340000000000003 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -50.35 -61.51 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 73.030000000000001 109.249 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' HD2' ' CD1' ' A' ' 5' ' ' PHE . 10.7 mmp_? -43.32 -53.92 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 75.319999999999993 110.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -56.12 -38.28 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 75.150000000000006 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -53.04 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 71.120000000000005 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.66 -46.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 110.272 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -62.7 -45.39 92.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 71.109999999999999 110.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.9 mm-40 -50.73 -27.37 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 54.539999999999999 110.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 12.0 mtp-105 -79.91 -56.3 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 75.329999999999998 110.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.3 mt -59.72 -19.25 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.409999999999997 109.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.44 -32.05 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.340000000000003 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -86.56 -15.1 40.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 65.409999999999997 109.286 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.32 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.030000000000001 110.341 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.558 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 3.3 m-85 -127.44 77.68 75.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 62.520000000000003 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 73.319999999999993 111.019 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.37 13.29 27.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.219999999999999 109.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' CB ' HD12 ' A' ' 50' ' ' LEU . 23.6 mmt180 -109.99 -177.97 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 74.230000000000004 110.288 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 51' ' ' VAL . 4.1 mt -145.17 92.24 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 74.530000000000001 109.337 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.1 Cg_endo -74.98 88.8 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 70.420000000000002 110.978 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 3.1 t -85.79 149.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 70.400000000000006 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 104' ' ' PHE . 6.7 mm -122.78 92.07 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 74.030000000000001 109.313 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.582 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 23.3 t -88.54 150.43 23.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 53.140000000000001 108.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 108' ' ' THR . 7.2 mt-10 -136.18 140.73 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 74.120000000000005 110.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 1.1 tmtt? -74.11 134.76 42.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 72.329999999999998 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.08 116.0 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 71.450000000000003 109.312 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -54.87 -46.49 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 75.349999999999994 110.253 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -56.2 -29.82 61.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 75.540000000000006 109.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.18 179.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 110.031 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -129.08 22.14 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 62.039999999999999 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.64 154.75 42.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 75.239999999999995 109.326 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 126.5 10.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.505 1.792 . . . . 74.420000000000002 110.992 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.38 170.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 71.439999999999998 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 7.5 pt -114.45 170.86 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.420000000000002 109.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.91 -61.53 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.409999999999997 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -174.95 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 73.540000000000006 109.334 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.533 ' HD2' ' CZ ' ' A' ' 5' ' ' PHE . 1.8 ptp85 -110.66 101.88 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 75.140000000000001 110.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -158.86 107.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 96.7 m-85 -127.77 93.75 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 71.030000000000001 111.017 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -93.61 92.31 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.98 154.61 44.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.230000000000004 109.35 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.26 14.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 75.420000000000002 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.67 18.88 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 65.049999999999997 109.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.55 -0.41 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 74.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 56' ' ' THR . 5.9 tt -90.66 156.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.409999999999997 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 12.2 p -110.42 161.67 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 71.340000000000003 110.405 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -50.36 -44.93 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 73.049999999999997 109.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -61.45 1.38 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 64.340000000000003 111.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -47.21 -41.68 18.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 74.319999999999993 110.317 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.511 ' CZ ' HG13 ' A' ' 31' ' ' VAL . 9.5 t80 -59.79 -35.95 75.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 65.150000000000006 110.957 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.13 -16.37 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 74.310000000000002 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -85.71 -63.27 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 74.329999999999998 111.011 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.2 m -44.82 -47.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 75.310000000000002 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.509 HD12 ' CD2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -57.44 -64.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 74.219999999999999 109.29 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.406 ' N ' HG21 ' A' ' 64' ' ' ILE . 16.3 ttm180 -44.84 -27.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -80.28 -43.68 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 71.400000000000006 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.459 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 9.3 mmt-85 -60.39 -26.72 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 74.109999999999999 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.4 pt -107.56 -8.99 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 74.120000000000005 109.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 7.5 ptp 40.7 51.15 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 74.319999999999993 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.3 mt -64.63 164.11 22.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.239999999999995 109.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.84 42.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 73.010000000000005 110.976 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 73.25 111.003 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -100.96 -15.01 17.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 75.439999999999998 110.354 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -94.5 179.1 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.275 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.09 112.56 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 74.319999999999993 109.275 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.439 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.3 tt -97.54 134.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 71.140000000000001 109.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 95.3 m-85 -111.82 157.77 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 73.129999999999995 110.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 109' ' ' TYR . 2.9 mm -113.33 142.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 74.040000000000006 109.262 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.625 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 1.9 m-85 -137.5 127.32 25.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 72.109999999999999 111.029 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 98' ' ' HIS . 1.0 OUTLIER -120.13 134.53 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.319999999999993 109.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 46.18 54.48 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 109.269 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 t70 48.85 46.54 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 70.450000000000003 109.299 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -140.59 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.230000000000004 110.39 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.625 ' CD1' ' CE2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -145.94 91.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 74.230000000000004 109.271 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.91 43.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.81 . . . . 71.019999999999996 110.992 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.53 36.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 75.340000000000003 111.027 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -74.15 -20.36 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 110.379 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.78 -29.34 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 73.140000000000001 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.7 137.99 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 71.549999999999997 109.279 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 tp -88.45 133.22 34.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 73.109999999999999 109.332 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 76.0 mmm -60.23 -14.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 72.310000000000002 110.953 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.7 p -82.0 -42.78 18.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 65.230000000000004 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.05 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.409999999999997 109.252 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.481 HG21 ' CD2' ' A' ' 98' ' ' HIS . 41.7 mm -60.31 -61.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 73.510000000000005 109.354 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.56 ' CD2' HD21 ' A' ' 105' ' ' LEU . 1.2 t80 -55.24 -29.61 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 74.540000000000006 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 72.239999999999995 110.357 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -110.88 -6.16 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 75.219999999999999 110.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.568 ' CE1' HG21 ' A' ' 80' ' ' VAL . 97.0 m-70 -115.58 13.91 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 70.310000000000002 109.595 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -74.62 139.87 43.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 74.430000000000007 109.322 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -99.2 179.61 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 109.291 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -63.27 -61.86 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 74.310000000000002 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.88 -22.82 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 73.230000000000004 109.284 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.5 -20.3 37.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 74.219999999999999 111.016 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.57 ' CE1' HG13 ' A' ' 32' ' ' ILE . 1.5 m-85 -58.61 170.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 64.299999999999997 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -114.42 134.98 54.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -106.67 105.33 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 73.319999999999993 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.459 ' CG1' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.65 155.15 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 75.519999999999996 109.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 56.7 m -155.86 135.64 12.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 73.239999999999995 110.413 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.582 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 1.8 p90 -110.12 -176.51 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 71.25 110.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.4 p -170.63 134.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 71.099999999999994 110.014 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.79 -20.65 6.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 64.140000000000001 110.961 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 113' ' ' ASN . 19.6 tp10 -106.94 160.11 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 74.329999999999998 110.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.484 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 24.1 t-20 -88.5 60.61 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 73.409999999999997 109.275 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.513 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.7 p -130.98 155.31 47.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 73.430000000000007 110.361 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -89.7 2.83 54.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 75.129999999999995 110.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 65.450000000000003 110.978 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 2.4 mmt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.475 0.179 . . . . 75.140000000000001 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -109.44 -177.67 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 74.239999999999995 109.31 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 m -73.9 149.8 41.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 71.430000000000007 109.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.5 p -94.83 -20.68 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 72.129999999999995 110.437 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -44.16 -27.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 71.129999999999995 110.967 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -64.61 -45.98 84.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 75.109999999999999 109.266 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 4' ' ' THR . 2.3 t -100.48 -63.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 65.439999999999998 109.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.9 OUTLIER -38.97 -34.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 75.430000000000007 110.237 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -126.19 93.46 43.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 63.140000000000001 111.019 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.27 18.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 64.209999999999994 110.968 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CG ' ' OD1' ' A' ' 102' ' ' ASP . 16.1 t80 -52.19 -58.94 5.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 73.219999999999999 111.003 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -42.89 -55.37 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 74.5 110.346 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -55.29 -60.83 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 75.409999999999997 109.304 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 -40.3 -43.55 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 71.439999999999998 110.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -59.41 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 70.439999999999998 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.41 -53.8 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 64.450000000000003 109.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.98 -64.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.5 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -53.69 -32.94 53.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 72.420000000000002 109.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.69 -26.76 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 72.340000000000003 110.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.8 -56.85 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 71.299999999999997 110.286 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 15.2 mt -56.04 -21.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.099999999999994 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 26' ' ' PRO . . . -84.68 -40.18 17.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.329999999999998 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 75.019999999999996 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.91 -47.95 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 72.430000000000007 110.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 5.7 m-85 -126.33 71.64 71.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 110.96 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' CB ' ' O ' ' A' ' 22' ' ' ALA . 18.3 Cg_endo -75.0 -2.47 12.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 72.239999999999995 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.78 13.26 35.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 71.519999999999996 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.9 mmm-85 -113.97 -177.75 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.140000000000001 110.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.44 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 7.8 mt -144.62 90.83 6.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 73.5 109.264 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.99 92.65 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 73.420000000000002 111.004 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.431 HG13 ' CE2' ' A' ' 60' ' ' PHE . 3.6 t -85.66 135.53 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.3 mm -113.91 92.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 74.239999999999995 109.261 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.67 155.41 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 63.509999999999998 108.246 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.501 ' O ' ' CG2' ' A' ' 108' ' ' THR . 6.6 mm-40 -131.17 120.5 23.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 75.530000000000001 110.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -40.47 137.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 71.299999999999997 109.299 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' N ' ' CD ' ' A' ' 35' ' ' LYS . . . -103.61 108.97 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 72.549999999999997 109.339 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -42.71 -47.06 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 72.120000000000005 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -43.51 -44.52 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.409999999999997 109.308 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 110' ' ' SER . 48.4 t -48.81 169.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.5 109.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -126.93 4.71 6.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 72.140000000000001 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -78.6 163.0 63.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 75.219999999999999 109.26 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.25 25.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 72.140000000000001 111.02 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.95 164.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 74.010000000000005 110.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -111.18 -172.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 109.277 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.465 ' CB ' ' HD3' ' A' ' 46' ' ' LYS . 1.3 m-20 -85.32 -52.38 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.64 173.73 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 75.120000000000005 109.303 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.46 102.37 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 64.019999999999996 110.321 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -150.26 110.97 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 70.310000000000002 109.279 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CE1' HG13 ' A' ' 64' ' ' ILE . 49.7 m-85 -132.56 93.83 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 75.120000000000005 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.1 tp -98.38 95.02 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.010000000000005 109.287 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.36 153.54 44.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.304 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.35 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 65.140000000000001 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.45 18.78 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 73.109999999999999 109.28 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -120.15 -3.07 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.510000000000005 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 56' ' ' THR . 3.9 tt -88.62 155.54 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 75.540000000000006 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -104.32 160.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 65.439999999999998 110.444 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.0 t -52.41 -51.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 72.420000000000002 109.27 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.96 -52.23 2.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 55.140000000000001 111.023 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 14.5 mt-30 -50.67 -53.24 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 75.349999999999994 110.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.512 ' CE1' ' CD1' ' A' ' 64' ' ' ILE . 28.0 t80 -45.69 -58.49 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 74.400000000000006 111.028 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 76' ' ' ILE . 39.3 t -43.76 -31.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 2.2 t80 -79.1 -43.72 23.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.549999999999997 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -49.19 -54.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 74.439999999999998 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.512 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 1.8 mp -53.51 -48.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.321 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' MET . 9.8 ttp180 -48.51 -23.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 75.549999999999997 110.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -77.57 -43.26 32.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 75.340000000000003 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -61.96 -29.31 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 74.420000000000002 110.292 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.597 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.6 pt -107.79 -3.19 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 65.010000000000005 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.1 ptp 40.46 49.15 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 74.129999999999995 111.017 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' HG ' ' CD ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -69.64 156.12 92.26 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.540000000000006 109.299 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.55 1.816 . . . . 74.019999999999996 111.024 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.1 9.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 72.120000000000005 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -95.79 -36.53 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 73.519999999999996 110.299 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.83 174.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 64.209999999999994 109.317 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.24 107.4 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 55.109999999999999 109.333 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.597 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 1.3 tt -96.6 156.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 75.319999999999993 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -137.33 136.11 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 75.049999999999997 110.936 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 107' ' ' VAL . 4.9 mm -99.65 141.57 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 74.299999999999997 109.245 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 89.6 m-85 -127.24 111.46 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 75.25 110.979 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 83' ' ' THR . 30.1 t -94.81 121.45 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.540000000000006 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 41.4 50.44 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 75.019999999999996 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.99 43.33 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 74.310000000000002 109.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -142.0 154.98 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 73.310000000000002 110.437 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.33 92.64 44.99 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 74.030000000000001 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 171.36 18.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 71.430000000000007 111.048 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 158.89 42.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 64.219999999999999 111.013 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -74.14 -11.67 60.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 63.520000000000003 110.411 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.64 19.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 65.019999999999996 109.334 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.24 138.27 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.229999999999997 109.294 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 tp -89.28 133.48 34.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 75.400000000000006 109.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.8 mmm -62.59 -12.09 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 73.209999999999994 110.974 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.5 p -82.23 -43.69 17.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.409999999999997 110.018 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.72 42.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 72.040000000000006 109.284 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.545 HG21 ' CD2' ' A' ' 98' ' ' HIS . 17.4 mm -67.91 -61.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.409999999999997 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 4.4 t80 -57.64 -23.69 52.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 75.329999999999998 111.035 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.11 -40.14 94.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.349999999999994 110.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.27 -0.71 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 71.340000000000003 110.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.545 ' CD2' HG21 ' A' ' 94' ' ' ILE . 81.3 m-70 -112.81 -7.89 13.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 109.587 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -53.6 135.82 39.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 74.310000000000002 109.318 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.464 ' CG ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -80.31 -179.99 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 109.347 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -82.05 -3.29 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.219999999999999 109.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.496 ' OD1' ' CG ' ' A' ' 11' ' ' PHE . 3.8 t0 -110.24 6.31 22.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 64.420000000000002 109.323 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.57 -64.4 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 54.119999999999997 111.018 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -45.95 172.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 75.530000000000001 111.003 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 99' ' ' LYS . 8.7 tp -115.61 125.28 52.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.109999999999999 109.279 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.464 ' CD1' ' CG ' ' A' ' 100' ' ' ASP . 7.5 m-85 -94.3 113.8 25.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 108' ' ' THR . 1.5 p -143.87 164.55 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 74.420000000000002 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 85.9 m -141.01 133.29 28.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 65.040000000000006 110.434 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 109' ' ' TYR . 4.2 p90 -109.64 144.03 38.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 63.439999999999998 110.955 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 39' ' ' SER . 79.9 p -147.03 143.86 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 71.219999999999999 110.021 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.423 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -66.17 -16.83 65.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 51.100000000000001 111.008 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 113' ' ' ASN . 15.2 tp10 -108.53 160.27 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 73.430000000000007 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 13.2 t-20 -90.34 64.8 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 73.230000000000004 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.573 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.9 p -108.31 130.08 55.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 74.150000000000006 110.344 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -101.71 -1.46 32.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 74.230000000000004 111.016 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 73.439999999999998 110.982 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.474 0.178 . . . . 73.209999999999994 111.035 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -52.25 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 75.430000000000007 109.312 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 p -95.52 90.48 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 74.120000000000005 110.044 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.0 p -63.17 -29.61 70.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 73.439999999999998 110.401 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.56 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 74.209999999999994 110.989 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' THR . 1.2 tmtm? -71.8 -54.3 10.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 75.219999999999999 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' THR . 3.1 m -81.66 -64.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 70.120000000000005 109.982 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 4' ' ' THR . 5.6 tt0 -37.96 -52.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 110.315 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' LYS . 7.5 m-85 -121.14 159.54 49.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 74.200000000000003 111.009 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.28 18.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 71.349999999999994 110.997 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.34 -44.38 52.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 75.25 111.012 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.28 -19.22 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 74.400000000000006 110.268 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -60.28 -67.3 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 71.310000000000002 109.253 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CD ' ' OH ' ' A' ' 106' ' ' TYR . 4.7 ptp85 -50.36 -28.74 8.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 110.266 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 74.129999999999995 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -71.53 -58.53 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.150000000000006 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -39.02 -56.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.209999999999994 110.328 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 52.3 p -50.32 -42.73 53.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.310000000000002 109.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ALA . 5.0 mm-40 -63.0 -26.75 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 71.239999999999995 110.252 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -78.97 -53.59 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 63.329999999999998 110.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 23.6 mt -56.86 -18.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 63.340000000000003 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.19 -39.99 18.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 71.140000000000001 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.25 -34.77 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 72.209999999999994 109.261 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.47 -51.41 5.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 74.230000000000004 110.266 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.3 m-85 -125.83 71.95 68.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 111.018 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.5 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.9 -5.32 16.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 72.349999999999994 111.02 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -93.94 -5.52 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 74.099999999999994 109.281 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.1 mpt_? -96.49 -177.85 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 65.549999999999997 110.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.4 mt -146.02 91.64 5.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 74.109999999999999 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 74.25 111.026 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.477 ' CG1' ' CG1' ' A' ' 107' ' ' VAL . 14.0 t -104.0 139.33 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 62.420000000000002 109.322 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -103.02 92.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.439999999999998 109.323 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.4 t -81.29 126.19 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.010000000000005 108.328 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' O ' ' CG2' ' A' ' 108' ' ' THR . 26.6 mt-10 -118.89 118.81 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 72.510000000000005 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 109' ' ' TYR . 0.8 OUTLIER -63.34 150.45 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 73.040000000000006 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.75 115.66 28.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 64.239999999999995 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -49.82 -50.14 46.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 110.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -41.81 -32.33 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 74.030000000000001 109.273 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -59.41 -179.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 73.239999999999995 109.984 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -125.89 4.88 7.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 73.140000000000001 109.258 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.88 154.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 74.019999999999996 109.282 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 121.83 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 72.450000000000003 111.044 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -57.29 170.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 75.040000000000006 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 4.1 pt -109.21 170.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 72.329999999999998 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.92 -56.55 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -138.37 158.16 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 72.540000000000006 109.319 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.2 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 74.329999999999998 110.344 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -158.8 123.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 74.019999999999996 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 37.4 m-85 -136.5 104.59 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.140000000000001 111.018 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.6 tp -99.71 95.6 7.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 73.510000000000005 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -110.56 153.7 43.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 74.340000000000003 109.299 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.51 14.38 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.476 1.777 . . . . 75.530000000000001 111.05 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.84 18.47 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 64.439999999999998 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.36 -1.8 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 74.239999999999995 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 6.4 tt -94.48 156.15 16.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 72.25 109.251 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.454 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 14.7 p -115.27 167.91 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 71.230000000000004 110.394 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.14 -43.68 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.540000000000006 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.473 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.12 -61.1 1.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 73.040000000000006 111.022 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 10.5 mt-30 -52.13 -44.28 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 71.109999999999999 110.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.85 -48.97 59.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.340000000000003 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.2 t -60.18 -21.93 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 72.420000000000002 109.266 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -82.71 -35.56 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 72.310000000000002 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 5.6 t -60.69 -57.9 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 75.209999999999994 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CG2' HD13 ' A' ' 68' ' ' ILE . 2.9 mp -49.84 -55.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 75.420000000000002 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.5 ttp85 -42.01 -32.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -81.17 -43.47 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 74.049999999999997 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.447 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -60.24 -26.27 66.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.200000000000003 110.266 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.477 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.1 pt -113.79 -4.63 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 65.030000000000001 109.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.8 ptp 40.69 51.56 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 63.119999999999997 110.968 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.92 154.15 84.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 72.319999999999993 109.268 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.85 21.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 74.129999999999995 110.968 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.02 9.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 64.530000000000001 111.03 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -95.62 -30.2 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 74.019999999999996 110.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 168.25 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 75.450000000000003 109.351 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.71 107.27 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 109.314 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.477 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 3.4 tt -109.99 149.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 74.349999999999994 109.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -142.66 141.98 31.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.432 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.0 mm -97.64 156.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.277 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 43.5 m-85 -145.27 146.86 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.019999999999996 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.616 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -137.25 129.62 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 74.019999999999996 109.284 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.587 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 5.7 m-80 54.82 40.65 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 63.409999999999997 109.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 63.17 39.09 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.248 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -133.85 -173.73 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 74.129999999999995 110.372 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' A' ' 79' ' ' PHE . 2.5 tt -140.53 95.47 8.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 73.200000000000003 109.34 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.445 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.99 158.64 42.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 64.219999999999999 110.98 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.41 14.56 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 71.010000000000005 111.014 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.473 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -84.68 -19.46 32.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 72.310000000000002 110.423 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.95 -34.12 44.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 51.520000000000003 109.274 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.75 139.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 73.310000000000002 109.274 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 tp -91.84 138.62 31.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 73.340000000000003 109.312 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.8 mmm -64.27 -12.6 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 74.040000000000006 110.978 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -89.0 -42.54 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.219999999999999 110.011 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.47 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 73.019999999999996 109.241 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.7 mm -66.82 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 71.219999999999999 109.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.4 t80 -56.5 -25.6 51.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 71.519999999999996 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.84 -41.29 99.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 75.310000000000002 110.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -106.21 -0.72 24.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 72.549999999999997 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.616 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 86.0 m-70 -113.69 -1.42 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 73.540000000000006 109.599 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.85 137.89 58.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 74.140000000000001 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.32 -179.98 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 74.510000000000005 109.301 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.6 -31.39 71.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 74.409999999999997 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -27.09 58.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.219999999999999 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.6 -48.77 0.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 71.439999999999998 110.989 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.496 ' CE1' HD11 ' A' ' 32' ' ' ILE . 3.6 m-85 -50.7 177.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 73.209999999999994 111.021 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.439 ' CD2' HG21 ' A' ' 31' ' ' VAL . 8.2 tp -120.98 125.84 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 73.239999999999995 109.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.407 ' OH ' ' CD ' ' A' ' 14' ' ' ARG . 25.0 m-85 -98.8 99.63 10.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 111.015 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -122.88 163.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 74.420000000000002 109.29 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.494 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 45.1 m -150.08 142.13 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 110.372 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 35' ' ' LYS . 13.9 p90 -129.97 170.87 13.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 75.409999999999997 111.002 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.4 t -164.37 170.27 16.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 72.409999999999997 110.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.63 3.0 65.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 75.420000000000002 110.998 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -122.36 156.57 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 75.099999999999994 110.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -91.54 46.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 74.120000000000005 109.304 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.577 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 3.0 p -121.12 154.79 35.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 74.010000000000005 110.424 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 83' ' ' THR . 53.4 m-85 -82.58 4.63 23.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 75.540000000000006 110.979 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 75.540000000000006 111.04 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.5 0.19 . . . . 73.129999999999995 111.037 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -111.66 -175.8 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.120000000000005 109.306 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -79.75 116.62 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 74.109999999999999 109.995 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.4 p -58.79 -31.37 68.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 74.109999999999999 110.406 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -52.61 -22.9 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 71.239999999999995 110.955 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -67.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 73.349999999999994 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 t -89.2 -51.77 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 64.019999999999996 110.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 4' ' ' THR . 5.6 tm-20 -40.06 -43.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 74.510000000000005 110.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -122.39 155.91 61.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 65.319999999999993 110.988 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 170.76 19.71 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.452 1.764 . . . . 73.040000000000006 110.946 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 102' ' ' ASP . 4.4 t80 -84.49 -34.58 23.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 73.340000000000003 110.96 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.24 -19.5 65.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 65.530000000000001 110.291 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -63.71 -65.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 73.120000000000005 109.292 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -49.95 -31.14 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 74.319999999999993 110.288 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -77.46 -29.61 52.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 74.540000000000006 109.322 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -76.72 -62.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 109.316 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -39.83 -41.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 73.510000000000005 110.348 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ILE . 2.8 p -59.87 -49.49 77.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.430000000000007 109.985 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.5 mm-40 -45.74 -34.02 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 74.400000000000006 110.253 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -78.61 -35.82 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 73.439999999999998 110.251 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' SER . 19.3 mt -71.14 -19.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 75.340000000000003 109.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 -35.31 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.420000000000002 109.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -71.0 -43.4 68.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 109.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 25' ' ' PHE . 13.6 tpt180 -78.05 -55.14 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 73.230000000000004 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.617 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -118.49 78.95 15.22 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 111.002 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.435 1.755 . . . . 72.510000000000005 110.98 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -126.51 46.86 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.109999999999999 109.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 28.6 mmt-85 -132.38 175.9 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 73.010000000000005 110.251 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' VAL . 2.3 mt -142.13 90.61 8.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 74.530000000000001 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.453 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 71.549999999999997 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.78 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 74.450000000000003 109.3 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.619 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -114.38 91.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 49.7 t -95.1 157.17 16.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 73.019999999999996 108.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -141.82 119.11 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 63.039999999999999 110.288 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.32 143.31 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 73.329999999999998 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.34 127.49 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.230000000000004 109.279 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.23 -27.37 67.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 110.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -73.66 -30.11 62.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 75.450000000000003 109.244 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -55.04 174.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 75.439999999999998 110.009 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.95 15.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 73.310000000000002 109.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.59 155.47 48.3 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 74.439999999999998 109.329 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.27 25.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 65.25 111.054 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -60.62 160.42 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 71.329999999999998 110.298 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 9.3 pt -98.4 -174.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 73.319999999999993 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -54.24 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 75.209999999999994 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -149.76 -177.56 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 72.310000000000002 109.316 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.44 101.68 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 75.5 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 13.0 ttpt -158.99 115.25 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 74.540000000000006 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 98.4 m-85 -128.84 93.75 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 74.140000000000001 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 11.6 mt -98.41 92.79 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 74.25 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.38 154.34 43.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 75.299999999999997 109.29 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.16 14.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.748 . . . . 62.109999999999999 111.002 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.91 19.12 5.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 75.450000000000003 109.257 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -120.83 -2.25 9.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 63.530000000000001 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 56' ' ' THR . 6.9 tt -89.18 156.7 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.400000000000006 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.472 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 14.0 p -111.71 162.76 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 74.540000000000006 110.419 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.62 -46.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 74.349999999999994 109.253 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -63.19 1.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 62.009999999999998 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -43.85 -52.31 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 64.219999999999999 110.287 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 64' ' ' ILE . 13.6 t80 -44.69 -60.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 65.340000000000003 110.997 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.1 t -40.56 -33.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 75.439999999999998 109.285 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -82.47 -42.98 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 111.021 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.8 t -48.69 -44.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 73.049999999999997 109.277 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.567 HD11 ' CE2' ' A' ' 60' ' ' PHE . 1.8 mp -65.21 -52.38 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 73.230000000000004 109.29 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 3.2 tmm_? -46.47 -24.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 75.230000000000004 110.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -79.02 -44.17 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 71.209999999999994 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 4.6 mmp_? -58.41 -29.77 66.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 75.230000000000004 110.313 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.464 ' CD1' HD12 ' A' ' 76' ' ' ILE . 3.1 pt -107.57 -9.6 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 73.25 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 18.3 ptp 40.99 49.33 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 74.209999999999994 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' HG ' ' CD ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -65.64 164.25 27.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 73.510000000000005 109.342 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.72 26.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 75.140000000000001 111.007 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 70.349999999999994 110.996 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.52 -39.37 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.409999999999997 110.314 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 16.5 mttp -62.64 176.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.400000000000006 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.62 106.43 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 70.340000000000003 109.268 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 109' ' ' TYR . 5.9 tt -102.58 148.99 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 74.299999999999997 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.54 151.16 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 75.120000000000005 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 84' ' ' LEU . 2.8 mm -107.81 139.76 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CE2' HD12 ' A' ' 84' ' ' LEU . 2.9 m-85 -132.03 124.81 30.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 111.065 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.401 ' O ' ' CG2' ' A' ' 83' ' ' THR . 1.4 p -106.26 131.94 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 109.266 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.536 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 1.8 m-80 45.6 62.61 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 72.340000000000003 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 42.34 44.86 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 71.099999999999994 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.501 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -144.63 -173.68 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 110.396 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 79' ' ' PHE . 1.1 tp -148.32 97.66 3.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 70.200000000000003 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.349999999999994 111.012 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.46 35.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 62.299999999999997 110.981 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 t -79.72 -5.92 56.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 110.362 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.74 -31.33 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 64.310000000000002 109.289 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.52 139.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 109.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 tp -89.41 132.46 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 70.329999999999998 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -61.58 -15.72 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 72.349999999999994 110.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.4 p -85.37 -39.72 17.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 62.43 110.035 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.76 62.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 74.409999999999997 109.286 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.566 HG22 ' CD2' ' A' ' 98' ' ' HIS . 16.9 mm -68.77 -61.37 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 73.340000000000003 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.2 t80 -55.95 -23.72 33.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 71.409999999999997 111.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.09 -41.46 90.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 74.030000000000001 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -103.53 -4.08 24.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.400000000000006 110.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' CD2' HG22 ' A' ' 94' ' ' ILE . 50.2 m-70 -108.21 -11.81 15.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 75.25 109.622 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -47.94 143.44 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.310000000000002 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 6.0 t70 -93.71 179.97 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.266 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -74.64 -28.12 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.340000000000003 109.328 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -78.52 -28.37 46.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 70.510000000000005 109.288 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.67 -63.65 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 74.140000000000001 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.619 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.8 m-85 -48.25 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 73.409999999999997 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.5 tp -115.22 163.03 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 73.099999999999994 109.265 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -127.7 114.65 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.319999999999993 111.001 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -139.25 158.98 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 64.310000000000002 109.315 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.409 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 24.2 m -148.65 135.79 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.319999999999993 110.37 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.594 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 3.8 p90 -124.74 168.92 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 74.010000000000005 111.053 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.0 p -156.91 160.24 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 72.310000000000002 110.003 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.13 -8.1 47.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 72.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -116.1 156.47 26.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.786 . . . . 71.400000000000006 110.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -89.25 45.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 73.340000000000003 109.304 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p -122.4 174.61 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.319999999999993 110.423 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -105.73 2.07 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 75.310000000000002 110.984 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.122 . . . . 65.140000000000001 110.963 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.514 0.197 . . . . 72.299999999999997 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.478 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 1.1 mptp? -72.31 -78.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 71.109999999999999 109.309 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -130.59 161.91 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 61.409999999999997 109.97 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.1 p -112.99 -18.99 12.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 62.43 110.394 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -61.52 -26.57 68.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 75.25 111.003 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.515 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 29.0 ttmt -69.11 -57.61 5.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 73.140000000000001 109.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 p -80.93 -66.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 75.25 110.003 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 4' ' ' THR . 17.0 tp10 -38.53 -52.94 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 74.510000000000005 110.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CE1' ' HE3' ' A' ' 13' ' ' LYS . 1.1 m-85 -109.19 148.82 38.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 64.530000000000001 111.005 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.18 18.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 74.510000000000005 111.02 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.447 ' CE1' ' CG ' ' A' ' 102' ' ' ASP . 1.3 t80 -66.89 -54.58 20.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 73.109999999999999 110.98 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -46.99 -46.68 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 75.439999999999998 110.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 8.8 tmtt? -42.51 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 72.099999999999994 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 0.3 OUTLIER -49.87 -63.79 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 74.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 11' ' ' PHE . 37.3 tttt -40.26 -31.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 74.140000000000001 109.322 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -62.83 -57.99 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 54.350000000000001 109.276 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -40.88 -34.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 110.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.86 -48.29 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 74.409999999999997 110.015 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 35.2 mm-40 -50.31 -37.4 36.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 73.129999999999995 110.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -78.66 -38.01 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 62.350000000000001 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.2 mt -68.7 -21.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 73.519999999999996 109.33 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.36 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 71.409999999999997 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.08 -18.75 49.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 71.129999999999995 109.322 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 15.8 tpt180 -108.23 -61.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 74.349999999999994 110.306 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 2.3 m-85 -124.7 75.77 64.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.409999999999997 111.005 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 73.409999999999997 111.041 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -102.77 12.12 36.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 72.540000000000006 109.295 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.4 mpt_? -104.0 178.09 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 74.299999999999997 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.0 mt -147.78 91.07 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.549999999999997 109.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.99 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 73.439999999999998 111.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' CG1' ' CZ ' ' A' ' 60' ' ' PHE . 3.8 t -85.72 138.59 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 74.140000000000001 109.307 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.48 96.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 74.129999999999995 109.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.73 152.17 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 62.329999999999998 108.322 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 108' ' ' THR . 9.7 mp0 -131.26 120.1 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.5 110.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.574 ' H ' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -40.29 139.32 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 73.540000000000006 109.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CD ' ' A' ' 35' ' ' LYS . . . -102.51 110.89 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 51.520000000000003 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.83 -42.11 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.409999999999997 110.258 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -48.28 -36.78 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.209999999999994 109.322 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.34 148.11 51.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 62.520000000000003 109.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.77 13.67 33.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 72.319999999999993 109.238 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -82.66 162.75 54.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 75.329999999999998 109.273 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 144.15 29.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.439 1.758 . . . . 75.340000000000003 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.92 170.92 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 65.530000000000001 110.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 3.4 pt -114.24 172.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 75.439999999999998 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -49.75 15.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 65.450000000000003 109.299 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -150.75 158.16 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 109.313 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.574 ' NH2' ' H ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -115.83 104.38 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.450000000000003 110.267 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -158.67 114.37 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.519999999999996 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.8 m-85 -134.12 116.07 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 64.219999999999999 110.998 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 4.6 mt -104.49 97.63 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 74.319999999999993 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 153.46 43.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.450000000000003 109.251 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.38 14.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 70.400000000000006 110.972 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.9 18.13 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 71.030000000000001 109.262 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -124.53 1.96 8.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.540000000000006 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 56' ' ' THR . 2.4 tt -95.23 155.2 16.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 63.210000000000001 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -101.44 160.41 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.010000000000005 110.383 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' PHE . 84.3 t -52.57 -45.59 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 65.409999999999997 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.38 -56.47 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 111.021 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.462 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 4.7 mt-30 -48.56 -40.17 26.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 64.510000000000005 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CZ ' ' CG1' ' A' ' 31' ' ' VAL . 3.5 t80 -64.18 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.019999999999996 110.982 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.6 t -74.31 -16.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 74.450000000000003 109.268 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.06 -63.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 72.430000000000007 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.0 m -43.43 -55.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 73.409999999999997 109.301 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -48.99 -55.16 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 73.420000000000002 109.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.2 tpp85 -45.27 -27.94 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 73.239999999999995 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.72 -42.67 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 1.4 mmt-85 -60.74 -25.34 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 73.140000000000001 110.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.5 pt -112.64 -6.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 72.329999999999998 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.8 ptp 41.46 48.95 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 74.150000000000006 110.976 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.1 mt -65.4 164.19 26.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 75.129999999999995 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.28 42.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 74.019999999999996 110.979 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.21 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 72.510000000000005 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -101.61 -15.06 17.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 71.209999999999994 110.302 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -93.88 177.13 6.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 75.030000000000001 109.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.51 120.85 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 72.030000000000001 109.275 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.2 tt -95.54 143.89 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 71.120000000000005 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -116.63 147.92 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 65.019999999999996 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.449 ' CG2' HG23 ' A' ' 107' ' ' VAL . 2.8 mm -108.57 135.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.040000000000006 109.29 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.694 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 3.1 m-85 -126.92 124.75 40.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 72.420000000000002 111.019 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG22 ' CE1' ' A' ' 98' ' ' HIS . 1.0 OUTLIER -119.39 136.85 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.450000000000003 109.289 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 44.71 53.97 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 75.519999999999996 109.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 48.81 45.64 22.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.120000000000005 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -138.64 -173.62 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.430000000000007 110.392 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.694 ' CD1' ' CE2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -143.31 91.4 6.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 71.120000000000005 109.27 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.13 43.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.79 . . . . 75.219999999999999 111.024 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.99 40.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 74.030000000000001 111.056 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.04 -8.2 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 110.434 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.53 -24.45 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' A' ' 94' ' ' ILE . . . -49.55 137.3 15.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 74.540000000000006 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -86.16 136.47 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 109.296 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.4 mmm -65.95 -9.2 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 75.25 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.7 p -88.14 -41.63 12.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 72.299999999999997 110.017 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.76 -33.22 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 71.530000000000001 109.257 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.488 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.8 mm -66.67 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.439999999999998 109.283 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 1.9 t80 -59.58 -25.51 64.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -63.03 -37.06 85.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 73.099999999999994 110.267 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -108.16 -7.69 15.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 73.040000000000006 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.569 ' CE1' HG22 ' A' ' 80' ' ' VAL . 84.5 m-70 -106.7 3.25 26.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 109.582 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -71.08 130.99 42.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 73.030000000000001 109.289 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -100.52 -179.98 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 73.310000000000002 109.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -56.45 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 73.510000000000005 109.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.447 ' CG ' ' CE1' ' A' ' 11' ' ' PHE . 27.7 m-20 -40.48 -48.04 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 73.540000000000006 109.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -37.39 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 72.019999999999996 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -67.32 170.59 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 74.120000000000005 111.031 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.469 HD12 ' CB ' ' A' ' 98' ' ' HIS . 7.2 tp -107.96 126.12 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 75.430000000000007 109.273 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -96.92 108.61 21.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 73.510000000000005 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -136.84 163.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 71.319999999999993 109.327 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 29.5 m -144.59 134.74 24.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 110.415 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 109' ' ' TYR . 5.6 p90 -105.07 146.92 28.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 75.010000000000005 111.033 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.7 p -151.74 122.6 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 109.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -44.52 -32.97 3.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 74.230000000000004 111.001 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -92.88 163.36 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 72.439999999999998 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.445 ' OD1' ' CZ ' ' A' ' 115' ' ' PHE . 18.7 t-20 -90.71 45.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 70.230000000000004 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.4 p -93.9 129.99 40.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.349999999999994 110.386 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.445 ' CZ ' ' OD1' ' A' ' 113' ' ' ASN . 11.9 m-85 -96.72 -0.05 48.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.159 . . . . 71.400000000000006 110.995 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mmm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.488 0.185 . . . . 74.140000000000001 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -70.15 -177.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 75.540000000000006 109.32 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -69.9 132.06 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 70.230000000000004 109.995 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 81.6 p -86.95 -18.83 29.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 110.404 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -74.45 -43.47 56.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 74.329999999999998 110.993 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -83.18 -19.95 35.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 74.409999999999997 109.27 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -95.59 -67.5 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 72.219999999999999 110.0 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 4' ' ' THR . 9.9 tt0 -60.34 -48.01 83.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 74.239999999999995 110.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' CD2' ' HG2' ' A' ' 13' ' ' LYS . 3.3 m-30 -102.93 165.29 13.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 74.510000000000005 110.999 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.41 ' HD2' ' NZ ' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.05 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.53 1.805 . . . . 74.439999999999998 111.001 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -77.71 -31.21 52.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 70.540000000000006 110.994 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -71.23 -17.7 62.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 74.310000000000002 110.321 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -67.19 -70.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 73.099999999999994 109.244 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -52.01 -24.14 6.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 75.109999999999999 110.345 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 14' ' ' ARG . 16.8 tttp -81.55 -32.14 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 72.329999999999998 109.304 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.47 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 73.239999999999995 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -53.94 49.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 75.530000000000001 110.34 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -54.09 -32.4 54.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 70.310000000000002 110.035 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 72.319999999999993 110.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' ASP . 65.9 mtp180 -78.62 -59.94 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 72.329999999999998 110.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.457 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 11.5 mt -51.42 -22.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 72.219999999999999 109.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.74 -34.2 21.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 72.239999999999995 109.247 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 6.1 t70 -72.87 -29.75 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.230000000000004 109.257 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.6 -52.3 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 74.109999999999999 110.259 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.5 m-85 -129.55 79.52 73.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 72.209999999999994 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -0.31 9.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 75.230000000000004 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -102.63 18.72 20.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -119.13 179.15 4.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.310000000000002 110.325 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.463 HG23 ' CG ' ' A' ' 95' ' ' TYR . 4.0 mt -144.29 93.37 5.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 75.5 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.457 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 92.77 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 74.239999999999995 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 107' ' ' VAL . 43.4 t -89.98 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 62.329999999999998 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.482 HG12 ' CD1' ' A' ' 104' ' ' PHE . 5.9 mm -116.46 91.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 75.109999999999999 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.1 t -70.24 157.33 37.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 60.140000000000001 108.269 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 47' ' ' ARG . 29.3 mm-40 -151.81 124.55 8.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 73.349999999999994 110.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.92 138.25 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 109.253 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.34 118.07 17.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 70.209999999999994 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.15 -40.92 67.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 72.439999999999998 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -55.62 -49.36 73.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 71.519999999999996 109.247 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.72 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.150000000000006 109.992 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -131.85 24.13 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 63.329999999999998 109.311 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.453 ' CD1' ' CE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -80.92 162.93 58.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 62.049999999999997 109.285 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 72.129999999999995 110.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 171.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 71.329999999999998 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 3.9 pt -117.39 175.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 73.519999999999996 109.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.14 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.329999999999998 109.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -153.5 -168.58 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 72.409999999999997 109.342 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 5.3 ptt180 -114.93 101.4 8.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 74.040000000000006 110.269 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -159.36 106.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.099999999999994 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -142.29 100.95 3.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 111.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -78.78 92.22 4.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 74.099999999999994 109.284 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' A' ' 60' ' ' PHE . 3.8 t -90.21 126.65 56.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 74.409999999999997 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.0 173.02 15.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.439 1.758 . . . . 74.299999999999997 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.57 7.86 18.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -110.95 -20.04 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 75.409999999999997 109.266 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' CD2' ' CG1' ' A' ' 51' ' ' VAL . 2.0 tt -77.97 155.24 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 75.25 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.2 p -115.53 173.19 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 75.5 110.425 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.54 -53.56 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 74.239999999999995 109.335 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.34 -62.19 1.9 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 64.230000000000004 110.968 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -45.66 -44.76 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 74.310000000000002 110.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 51' ' ' VAL . 4.7 t80 -56.71 -35.24 68.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 71.340000000000003 110.987 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 t -71.78 -16.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 109.354 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.14 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 74.310000000000002 111.058 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.7 m -44.29 -54.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 75.219999999999999 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -48.24 -57.95 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.120000000000005 109.285 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.5 ttm180 -42.5 -27.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 75.530000000000001 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -78.44 -47.45 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 75.329999999999998 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.456 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -57.14 -26.87 61.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.450000000000003 110.299 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.571 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.5 pt -107.16 -13.26 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 73.340000000000003 109.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.474 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.4 ptp 41.4 49.28 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 110.966 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 68' ' ' ILE . 9.0 mt -64.66 164.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 71.030000000000001 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.84 41.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 74.099999999999994 110.969 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.91 11.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 73.510000000000005 111.002 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -99.16 -13.21 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 71.209999999999994 110.325 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -96.85 165.98 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.46 106.19 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 54.109999999999999 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.571 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 7.0 tt -91.14 143.86 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 72.340000000000003 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 109' ' ' TYR . 91.4 m-85 -118.47 162.74 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.439999999999998 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 109' ' ' TYR . 11.2 mm -119.16 128.07 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 75.219999999999999 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 84' ' ' LEU . 79.8 m-85 -120.24 135.73 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 63.130000000000003 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.517 ' CG2' ' ND1' ' A' ' 98' ' ' HIS . 1.6 p -133.84 138.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 74.299999999999997 109.351 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.402 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 2.0 m-80 51.78 29.3 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 74.239999999999995 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 67.99 34.75 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 73.540000000000006 109.332 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.11 -173.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 71.420000000000002 110.439 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -144.68 93.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 73.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.441 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.0 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 73.140000000000001 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 170.49 20.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 73.310000000000002 111.045 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.02 -19.79 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 73.030000000000001 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.89 -27.61 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.209999999999994 109.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.47 ' HB1' ' CD1' ' A' ' 94' ' ' ILE . . . -42.25 127.9 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 72.219999999999999 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -78.24 127.49 32.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 72.019999999999996 109.29 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.421 ' N ' HD11 ' A' ' 90' ' ' LEU . 87.5 mmm -55.89 -17.06 5.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.409999999999997 111.043 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.1 p -77.05 -46.8 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 73.010000000000005 109.962 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -26.92 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 61.340000000000003 109.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.516 HG23 ' CD2' ' A' ' 98' ' ' HIS . 22.6 mm -70.9 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 74.420000000000002 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.497 ' O ' ' CB ' ' A' ' 99' ' ' LYS . 41.2 t80 -60.31 -17.34 42.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.75 -38.82 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 73.319999999999993 110.271 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -103.03 -3.0 26.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 71.519999999999996 110.357 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' CG2' ' A' ' 80' ' ' VAL . 60.9 m-70 -105.81 -31.15 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 74.5 109.601 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -40.4 135.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.530000000000001 109.271 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -103.08 179.94 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 109.308 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -66.73 -16.72 64.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 73.219999999999999 109.29 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.21 -17.79 36.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.219999999999999 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.94 -58.16 1.23 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.482 ' CD1' HG12 ' A' ' 32' ' ' ILE . 2.3 m-85 -49.37 175.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 73.150000000000006 110.962 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.3 tp -119.46 127.1 52.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 64.439999999999998 109.258 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 23.3 m-85 -98.87 118.59 35.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 72.099999999999994 111.025 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -142.66 154.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.340000000000003 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 5.1 m -150.48 135.94 18.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 72.329999999999998 110.412 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.468 ' CD1' HD12 ' A' ' 76' ' ' ILE . 2.6 p90 -109.64 173.09 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 111.002 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 112' ' ' GLU . 65.7 p -160.42 124.12 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 63.049999999999997 109.978 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -41.12 -27.82 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 64.109999999999999 110.967 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 110' ' ' SER . 10.4 tt0 -113.91 157.02 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 71.120000000000005 110.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.417 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 5.3 t-20 -85.38 63.29 8.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 72.430000000000007 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.5 p -106.94 137.24 45.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 71.329999999999998 110.427 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -100.3 3.12 43.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 73.450000000000003 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 65.200000000000003 110.957 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.462 0.172 . . . . 75.420000000000002 111.014 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -86.06 -64.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 75.230000000000004 109.293 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 7' ' ' SER . 95.6 p -109.74 164.48 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 70.329999999999998 110.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.16 -4.4 9.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 73.099999999999994 110.426 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' TYR . 4.3 m-85 -63.99 -78.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 75.120000000000005 110.969 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.13 -6.57 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.510000000000005 109.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 3' ' ' SER . 0.8 OUTLIER -79.71 -67.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 110.007 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -88.65 -44.19 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 71.5 110.283 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' PHE . 1.2 m-85 -91.15 169.87 10.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 74.140000000000001 110.995 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 171.18 18.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 75.200000000000003 111.018 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.546 ' CZ ' ' HG2' ' A' ' 12' ' ' GLU . 7.8 p90 -85.65 -25.96 26.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 110.982 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.546 ' HG2' ' CZ ' ' A' ' 11' ' ' PHE . 3.3 mt-10 -67.45 -19.43 65.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 110.313 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -60.31 -57.74 11.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 74.120000000000005 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -59.71 -32.05 70.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 75.239999999999995 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -27.96 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 74.319999999999993 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -77.58 -63.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 75.439999999999998 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -43.15 -38.23 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.140000000000001 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 p -64.62 -42.82 95.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 71.430000000000007 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' ALA . 29.0 mm-40 -53.36 -28.1 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.450000000000003 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -78.9 -39.57 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 54.219999999999999 110.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.9 mt -76.59 -19.64 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 72.329999999999998 109.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.45 -28.37 31.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 64.25 109.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.02 -15.46 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.099999999999994 109.308 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 19.9 tpt180 -97.31 -62.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.239999999999995 110.263 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 3.9 m-85 -124.15 76.87 60.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 73.109999999999999 110.975 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.03 9.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 71.310000000000002 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -101.48 -6.4 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 73.400000000000006 109.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.465 ' CB ' HD12 ' A' ' 50' ' ' LEU . 16.2 mmt180 -92.86 -177.83 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 74.040000000000006 110.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.482 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 5.0 mt -145.55 93.14 5.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.109999999999999 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.564 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -74.97 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 75.209999999999994 111.028 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.528 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 25.6 t -85.7 135.57 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 74.019999999999996 109.353 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.605 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.2 mm -111.18 91.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 75.329999999999998 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -72.22 157.34 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 108.306 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 108' ' ' THR . 20.0 mt-10 -136.44 118.64 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.219999999999999 110.315 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 39' ' ' SER . 1.4 tmtt? -47.89 141.06 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 74.219999999999999 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.25 117.02 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 64.420000000000002 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.42 -53.79 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 73.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -44.21 -40.22 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 75.209999999999994 109.331 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 2.3 t -49.01 158.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 62.020000000000003 110.038 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.54 14.16 21.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 75.299999999999997 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.439 HD13 ' CE1' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -93.46 161.47 30.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 71.200000000000003 109.32 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.94 35.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.44 1.758 . . . . 71.230000000000004 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.42 169.96 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 74.049999999999997 110.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 4.6 pt -113.17 173.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 74.120000000000005 109.316 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -73.98 -51.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 179.78 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 74.430000000000007 109.322 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -129.76 101.48 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.310000000000002 110.259 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' CD ' ' C ' ' A' ' 48' ' ' LYS . 1.9 tmtt? -153.01 132.98 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 75.150000000000006 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 33' ' ' CYS . 50.9 m-85 -150.89 94.44 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 63.340000000000003 111.031 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -91.46 92.37 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 71.230000000000004 109.349 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.15 153.78 43.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 75.299999999999997 109.341 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.65 14.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 63.530000000000001 110.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . . . -88.42 17.31 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 74.129999999999995 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -124.53 1.93 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 109.364 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 56' ' ' THR . 3.9 tt -93.95 155.41 17.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 75.439999999999998 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -103.94 161.43 13.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 75.430000000000007 110.432 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 60' ' ' PHE . 91.8 t -53.11 -41.95 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 71.430000000000007 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.27 -59.21 2.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 61.25 111.008 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -49.52 -32.63 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 75.439999999999998 110.288 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.529 ' CE1' ' CB ' ' A' ' 49' ' ' TYR . 4.0 t80 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 73.219999999999999 111.003 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 76' ' ' ILE . 18.5 t -71.93 -16.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 71.140000000000001 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -63.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 74.019999999999996 110.999 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -45.19 -49.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 73.129999999999995 109.314 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.507 HG13 ' CE1' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -55.03 -64.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.25 109.313 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' HG21 ' A' ' 64' ' ' ILE . 36.8 ttp180 -41.2 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 74.450000000000003 110.285 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -78.83 -49.08 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 75.319999999999993 109.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.0 mmt-85 -49.22 -22.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 73.239999999999995 110.253 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.492 ' C ' ' CG ' ' A' ' 69' ' ' MET . 1.2 pt -106.88 -23.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 72.299999999999997 109.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER 73.68 29.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 74.140000000000001 110.996 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 68' ' ' ILE . 1.8 mp -64.29 149.79 93.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 64.299999999999997 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 172.54 16.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 75.129999999999995 111.051 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.77 . . . . 71.129999999999995 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 74' ' ' LYS . 9.9 pt-20 -95.07 -35.28 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.450000000000003 110.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -58.07 168.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 72.409999999999997 109.317 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.19 105.97 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 73.340000000000003 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CG2' HG11 ' A' ' 61' ' ' VAL . 2.8 tt -104.9 132.44 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 72.549999999999997 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -117.32 139.54 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.010000000000005 111.012 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 107' ' ' VAL . 2.9 mm -89.19 142.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.409999999999997 109.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CZ ' HD12 ' A' ' 84' ' ' LEU . 76.5 m-85 -135.0 133.4 39.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 72.25 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.588 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -134.43 140.94 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 73.439999999999998 109.262 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.567 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 1.7 m-80 41.93 53.59 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 72.299999999999997 109.293 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 50.34 45.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 74.450000000000003 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -139.69 -173.63 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 61.109999999999999 110.427 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.557 HD12 ' CZ ' ' A' ' 79' ' ' PHE . 4.3 tt -143.77 93.64 6.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.323 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.66 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 75.510000000000005 110.99 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.13 25.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 74.329999999999998 110.998 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.83 -13.99 58.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 75.549999999999997 110.345 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.01 -26.9 23.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 54.329999999999998 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.07 139.37 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 72.109999999999999 109.278 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 tp -89.06 131.85 35.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 74.310000000000002 109.289 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 73.1 mmm -62.65 -12.3 22.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 74.109999999999999 110.993 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.8 t -84.07 -41.57 17.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 70.319999999999993 110.007 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.72 -36.36 57.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 75.439999999999998 109.285 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.566 HG21 ' CD2' ' A' ' 98' ' ' HIS . 15.2 mm -65.76 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 74.530000000000001 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.482 ' CD2' ' CG2' ' A' ' 29' ' ' ILE . 3.0 t80 -57.95 -23.92 55.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 73.430000000000007 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.1 -37.3 87.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.129999999999995 110.343 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -110.18 -0.71 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 75.239999999999995 110.321 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.588 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 83.5 m-70 -112.97 -9.55 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 72.010000000000005 109.562 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -50.23 143.6 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 75.319999999999993 109.262 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 2.9 t70 -98.86 179.98 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 71.109999999999999 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -77.14 -16.37 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.109999999999999 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.86 -14.89 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.329999999999998 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.48 -59.56 0.36 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 75.019999999999996 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.605 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -49.27 177.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 75.25 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.443 HD13 ' CB ' ' A' ' 98' ' ' HIS . 7.8 tp -116.44 156.5 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 74.400000000000006 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.05 105.36 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 75.549999999999997 110.995 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -135.63 162.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 63.219999999999999 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 4.0 m -145.38 137.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 63.020000000000003 110.404 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.495 ' CD1' ' O ' ' A' ' 109' ' ' TYR . 6.9 p90 -106.14 148.12 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.349999999999994 110.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 1.7 t -145.37 134.35 22.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 74.010000000000005 109.95 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.37 -14.28 33.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 65.319999999999993 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -110.83 163.46 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 64.510000000000005 110.29 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -97.43 73.83 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 52.530000000000001 109.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.3 p -144.08 142.58 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.420000000000002 110.367 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -90.71 -7.51 52.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 73.5 110.976 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 53.100000000000001 110.96 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ttm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.51 0.195 . . . . 75.420000000000002 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -77.41 -62.79 1.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 73.299999999999997 109.258 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -118.28 111.62 19.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.200000000000003 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLU . 4.1 p -74.68 -27.73 60.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 65.040000000000006 110.4 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 14' ' ' ARG . 2.2 t80 -53.22 -23.5 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 110.973 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -59.02 -65.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 74.319999999999993 109.308 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -91.13 -53.51 4.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 75.099999999999994 109.978 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' THR . 1.2 tp10 -41.31 -33.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 62.210000000000001 110.286 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -136.25 158.63 73.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 111.005 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 75.040000000000006 111.014 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 4.8 p90 -93.97 -16.76 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 74.219999999999999 110.96 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -75.88 -27.57 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 75.299999999999997 110.305 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -53.61 -68.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 74.219999999999999 109.32 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 60.0 mtt180 -51.54 -44.18 62.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 73.400000000000006 110.277 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -44.53 -53.44 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 74.129999999999995 109.3 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.27 -57.76 7.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 72.209999999999994 109.359 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -42.49 -29.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 73.409999999999997 110.342 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -89.14 -40.93 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 54.350000000000001 110.003 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ALA . 17.3 mm-40 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 75.530000000000001 110.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -80.66 -51.62 8.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 73.409999999999997 110.321 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.456 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 19.0 mt -64.01 -18.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.109999999999999 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.1 -38.66 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 63.200000000000003 109.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.58 -33.14 62.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.200000000000003 109.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -81.15 -40.37 24.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 75.010000000000005 110.292 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 5.2 m-85 -146.0 81.31 9.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.07 9.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 53.310000000000002 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -106.96 17.39 23.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.32 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.3 mmt85 -114.02 -177.8 3.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 74.340000000000003 110.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 95' ' ' TYR . 34.9 mt -147.26 90.9 5.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 74.129999999999995 109.329 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.0 97.09 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 75.340000000000003 110.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 3.3 t -85.68 136.18 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.631 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 4.7 mm -113.92 92.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.019999999999996 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.0 t -87.74 157.35 19.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 71.420000000000002 108.309 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' CG2' ' A' ' 108' ' ' THR . 21.5 mp0 -138.88 118.53 13.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 65.510000000000005 110.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 144.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 75.430000000000007 109.313 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -102.65 109.18 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 64.319999999999993 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.8 pt-20 -43.46 -49.44 7.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 110.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.26 -40.56 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 63.25 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' ALA . 7.8 t -49.3 161.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 74.219999999999999 109.982 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -121.42 13.39 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 73.099999999999994 109.265 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.423 ' CD1' HD12 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -90.98 163.64 28.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 70.030000000000001 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 133.21 16.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 74.420000000000002 110.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.05 170.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.540000000000006 110.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 3.5 pt -109.08 -172.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 70.230000000000004 109.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -79.25 -56.26 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 109.355 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.54 177.65 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 72.120000000000005 109.314 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -111.44 102.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 73.450000000000003 110.305 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -158.79 111.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 74.209999999999994 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE1' HG13 ' A' ' 64' ' ' ILE . 53.4 m-85 -135.52 96.21 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.239999999999995 110.973 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.7 tp -98.56 94.06 6.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 72.209999999999994 109.316 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.65 158.06 37.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 64.540000000000006 109.313 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.23 14.86 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 73.439999999999998 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 17.59 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 73.530000000000001 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -8.55 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 65.420000000000002 109.296 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 59' ' ' GLN . 7.6 tt -81.22 157.9 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 63.009999999999998 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' VAL . 16.6 p -118.3 152.0 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 64.109999999999999 110.399 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' THR . 93.6 t -40.46 -47.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 75.319999999999993 109.311 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.22 -54.32 2.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 61.130000000000003 110.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 13.7 mt-30 -58.08 -53.4 58.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 74.040000000000006 110.289 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 59.6 t80 -46.66 -54.94 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.510000000000005 110.99 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 t -50.55 -28.47 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.219999999999999 109.288 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 1.4 t80 -80.69 -60.43 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.549999999999997 111.022 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 t -40.9 -50.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 72.310000000000002 109.316 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -54.05 -52.62 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 72.140000000000001 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' MET . 18.6 ttm180 -48.64 -23.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 110.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -74.12 -43.64 56.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 64.439999999999998 109.326 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 17.0 mmt180 -60.82 -18.71 57.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 70.299999999999997 110.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 3.0 pt -113.74 -11.77 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 72.5 109.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.0 ptp 40.96 48.47 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 75.329999999999998 111.003 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.41 155.61 93.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 109.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.23 23.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 64.329999999999998 111.012 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.58 10.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 74.239999999999995 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.21 -29.27 14.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 173.72 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 72.010000000000005 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.0 106.24 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 63.140000000000001 109.315 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.0 tt -107.67 161.16 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 76' ' ' ILE . 55.2 m-85 -151.26 148.0 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 74.129999999999995 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.1 mm -108.17 137.6 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 74.340000000000003 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.567 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 67.6 m-85 -127.24 122.54 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 75.329999999999998 111.009 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.454 ' CG1' ' HG3' ' A' ' 85' ' ' PRO . 1.5 p -111.23 133.44 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.530000000000001 109.275 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 44.5 61.22 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 64.540000000000006 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 43.12 41.09 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 62.020000000000003 109.332 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.498 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -141.68 -173.76 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 73.510000000000005 110.373 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 79' ' ' PHE . 5.1 tp -138.21 100.34 8.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 75.230000000000004 109.309 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 156.53 43.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 75.120000000000005 111.017 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.33 40.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 74.329999999999998 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -2.48 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.519999999999996 110.396 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.73 -26.83 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 75.150000000000006 109.295 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.69 137.36 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 72.239999999999995 109.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tp -88.48 130.14 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 72.109999999999999 109.312 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.2 mmm -57.08 -16.44 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 64.109999999999999 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 p -74.84 -50.01 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 64.319999999999993 109.935 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 71.549999999999997 109.28 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' HIS . 20.5 mm -71.68 -57.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 74.430000000000007 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.687 ' CD2' ' CD2' ' A' ' 105' ' ' LEU . 2.2 t80 -60.35 -18.06 47.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 73.549999999999997 111.055 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -77.03 -33.51 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 74.530000000000001 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -109.08 -0.85 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.299999999999997 110.347 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.553 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 50.2 m-70 -122.98 26.92 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.537 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 135.59 34.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 73.329999999999998 109.305 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 179.28 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 64.409999999999997 109.342 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -78.21 -0.52 28.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.150000000000006 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 -3.71 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.230000000000004 109.285 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.12 -1.38 85.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.155 . . . . 51.340000000000003 111.03 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.631 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -103.78 -179.22 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.761 . . . . 71.219999999999999 110.997 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.687 ' CD2' ' CD2' ' A' ' 95' ' ' TYR . 0.5 OUTLIER -110.72 156.16 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 75.129999999999995 109.281 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -128.26 105.74 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 72.099999999999994 111.003 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.588 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -132.95 160.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 75.239999999999995 109.277 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.441 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 19.2 m -145.09 125.45 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 73.530000000000001 110.41 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 109' ' ' TYR . 6.3 p90 -109.09 141.37 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 75.349999999999994 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -140.57 157.43 45.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 110.003 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -77.37 2.06 63.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 54.049999999999997 110.981 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -125.57 157.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 71.530000000000001 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.62 68.2 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 75.5 109.285 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p -129.36 148.42 51.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 110.402 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -89.84 -4.16 57.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 74.349999999999994 111.03 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 64.329999999999998 111.034 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.486 0.184 . . . . 72.349999999999994 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -83.39 -52.15 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.409999999999997 109.25 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 m -130.58 112.85 13.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 74.519999999999996 109.977 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 8' ' ' GLU . 6.6 p -55.97 -36.63 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 60.340000000000003 110.385 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -49.47 -25.64 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 74.030000000000001 111.025 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -55.16 -67.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 75.230000000000004 109.339 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.7 p -91.83 -51.03 5.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 74.510000000000005 110.037 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' THR . 13.9 tt0 -42.05 -31.34 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 70.319999999999993 110.36 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -139.6 158.27 68.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.540000000000006 111.032 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -75.03 168.07 25.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 53.329999999999998 111.023 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' CD2' ' OD1' ' A' ' 102' ' ' ASP . 0.9 OUTLIER -76.44 -27.98 56.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 111.004 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.8 -48.64 45.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 53.329999999999998 110.337 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' CG ' ' HG2' ' A' ' 10' ' ' PRO . 7.1 mmtm -44.83 -29.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 74.200000000000003 109.276 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -76.52 -47.05 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 74.019999999999996 110.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' SER . 21.6 ttpt -61.51 -60.52 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 73.439999999999998 109.31 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -47.81 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 72.409999999999997 109.268 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -48.86 -40.65 30.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 74.439999999999998 110.307 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 1.4 t -74.37 -42.12 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 74.340000000000003 109.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.43 -26.71 8.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -82.03 -54.53 5.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.239999999999995 110.344 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.444 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 28.8 mt -60.28 -19.58 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 75.530000000000001 109.248 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.34 -42.88 15.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.16 -40.42 81.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 75.140000000000001 109.247 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -85.39 -50.56 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 63.109999999999999 110.344 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.469 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.7 m-85 -126.15 74.05 72.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 70.219999999999999 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.5 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 75.239999999999995 111.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -104.99 8.79 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 75.209999999999994 109.272 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.0 mpt_? -104.23 -178.0 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 73.409999999999997 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.513 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 1.7 mt -142.95 90.35 7.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 74.120000000000005 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.02 91.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 73.209999999999994 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 105' ' ' LEU . 2.7 t -85.61 153.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 72.430000000000007 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -128.24 92.03 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 74.430000000000007 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 35.7 t -92.81 154.43 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 71.200000000000003 108.252 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HG2' ' NH2' ' A' ' 47' ' ' ARG . 2.5 mp0 -140.97 118.68 11.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 72.439999999999998 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.6 136.65 50.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 74.329999999999998 109.337 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.14 123.23 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.310000000000002 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -57.0 -43.94 82.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 73.540000000000006 110.252 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -54.7 -47.36 73.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 75.349999999999994 109.34 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 p -39.64 157.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.099999999999994 109.997 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -107.83 28.9 7.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 75.349999999999994 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -99.63 160.2 28.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.540000000000006 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 74.109999999999999 111.018 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.64 159.73 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 75.420000000000002 110.291 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 14.3 pt -103.03 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.340000000000003 109.267 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.15 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.340000000000003 109.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 -167.91 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 72.420000000000002 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -118.64 101.6 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 72.439999999999998 110.254 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -153.42 123.98 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.519999999999996 109.33 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 21.8 m-85 -137.97 104.57 5.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.120000000000005 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -106.96 92.11 3.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 75.239999999999995 109.322 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.12 154.45 48.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 70.209999999999994 109.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 73.430000000000007 110.979 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.29 17.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.450000000000003 109.289 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.02 -3.03 10.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.299999999999997 109.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 59' ' ' GLN . 6.3 tt -89.79 152.84 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 73.400000000000006 109.267 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -113.57 164.21 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 64.319999999999993 110.357 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -48.42 -44.0 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.519999999999996 109.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.01 -56.08 2.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 72.430000000000007 111.011 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.455 ' CB ' HD11 ' A' ' 55' ' ' LEU . 3.8 mm100 -55.45 -51.17 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 74.099999999999994 110.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.1 t80 -48.93 -58.78 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.010000000000005 110.994 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.6 t -44.03 -30.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 72.519999999999996 109.325 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -80.29 -45.9 17.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.420000000000002 110.993 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.11 -45.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 75.530000000000001 109.307 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.557 HG12 ' CD2' ' A' ' 109' ' ' TYR . 4.4 mp -61.03 -55.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.450000000000003 109.298 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -43.83 -26.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.329999999999998 110.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -82.74 -44.17 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 74.510000000000005 109.265 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 7.1 mmt-85 -58.66 -29.89 66.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 110.254 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.481 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.4 pt -108.37 -8.64 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 74.340000000000003 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 11.7 ptp 41.75 47.12 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 74.150000000000006 111.019 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.98 155.8 92.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 75.439999999999998 109.286 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.06 19.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 64.310000000000002 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 70.129999999999995 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.29 -40.8 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 74.319999999999993 110.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 75.430000000000007 109.326 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 111' ' ' GLY . . . -153.8 106.12 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 72.25 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 68' ' ' ILE . 4.6 tt -110.26 161.41 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 71.019999999999996 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -151.02 145.65 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 72.140000000000001 111.035 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.502 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 2.5 mm -101.66 139.21 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 74.099999999999994 109.277 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 69.5 m-85 -131.04 120.55 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.329999999999998 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.431 ' CG1' ' HG3' ' A' ' 85' ' ' PRO . 1.3 p -111.24 130.15 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 73.319999999999993 109.322 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.573 ' N ' HD21 ' A' ' 81' ' ' ASN . 1.4 m-80 46.68 65.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.259 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 40.27 37.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 74.340000000000003 109.278 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -138.29 179.82 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.329999999999998 110.444 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 79' ' ' PHE . 2.6 tp -136.7 99.63 10.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 73.219999999999999 109.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.431 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.96 161.74 38.36 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.439 1.758 . . . . 74.030000000000001 111.05 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.49 31.12 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.799 . . . . 74.109999999999999 110.978 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 3.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.409999999999997 110.344 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.2 -28.35 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 74.230000000000004 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -44.06 126.97 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 72.120000000000005 109.329 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -76.05 127.24 32.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 72.230000000000004 109.298 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.421 ' N ' HD12 ' A' ' 90' ' ' LEU . 95.2 mmm -56.5 -16.72 6.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 74.010000000000005 110.997 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 p -75.09 -47.87 26.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 72.450000000000003 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.57 61.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 73.510000000000005 109.281 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' HIS . 17.6 mm -67.53 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 71.129999999999995 109.287 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CD2' HD21 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -56.74 -19.68 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 71.25 111.023 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.84 -40.27 75.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 75.409999999999997 110.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -107.73 -0.67 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 74.430000000000007 110.314 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.578 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 89.9 m-70 -116.97 20.66 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 109.579 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -94.57 135.73 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 70.340000000000003 109.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -96.08 179.96 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.28 -15.69 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 74.540000000000006 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.556 ' OD1' ' CD2' ' A' ' 11' ' ' PHE . 2.3 m-20 -87.83 -16.55 33.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.129999999999995 109.321 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.66 -51.8 1.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 75.439999999999998 111.006 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.7 m-85 -49.56 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 75.010000000000005 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -113.27 157.84 21.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 73.140000000000001 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.23 102.83 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 72.150000000000006 110.992 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -124.72 159.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 75.430000000000007 109.323 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.42 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 39.0 m -154.98 114.63 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 72.319999999999993 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.597 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 5.5 p90 -101.57 -173.64 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -174.74 161.93 3.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.230000000000004 110.024 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 75' ' ' ALA . . . -75.37 -0.24 61.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 74.219999999999999 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -124.08 156.95 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 74.140000000000001 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -87.76 63.67 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.299999999999997 109.318 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.531 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 5.2 p -128.86 160.27 33.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 65.349999999999994 110.434 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -93.44 3.89 54.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 72.420000000000002 111.012 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 65.219999999999999 111.011 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mtm . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.539 0.209 . . . . 72.140000000000001 110.967 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -116.19 -49.02 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.319999999999993 109.286 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -141.58 132.52 26.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 64.040000000000006 110.04 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 p -67.05 -37.84 84.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 71.299999999999997 110.406 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' A' ' 47' ' ' ARG . 13.4 m-30 -44.97 -25.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 71.25 110.964 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -64.93 -45.6 85.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.24 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 m -99.62 -63.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 72.430000000000007 109.999 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -39.58 -37.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 71.430000000000007 110.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -126.16 157.57 69.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 75.109999999999999 111.015 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HG2' ' CG ' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.02 163.7 34.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 71.400000000000006 110.999 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 102' ' ' ASP . 2.1 t80 -75.63 -20.62 58.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 73.430000000000007 110.983 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -78.79 -49.91 12.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.450000000000003 110.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' CG ' ' HG2' ' A' ' 10' ' ' PRO . 7.2 mmtm -42.49 -53.53 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 74.340000000000003 109.304 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -53.72 -59.74 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 75.519999999999996 110.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -46.67 -33.73 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 74.219999999999999 109.251 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.23 -60.14 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 43.450000000000003 109.289 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.23 -32.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.209999999999994 110.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 t -79.33 -52.25 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 74.219999999999999 109.965 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.63 -31.83 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 110.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -80.23 -44.76 19.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 73.150000000000006 110.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.63 -24.9 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 71.420000000000002 109.278 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.8 -37.8 29.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 62.240000000000002 109.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.73 -46.7 88.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 74.230000000000004 109.268 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -80.43 -43.88 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 71.349999999999994 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.6 m-85 -132.6 78.41 67.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 72.140000000000001 110.977 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 0.01 9.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 74.319999999999993 110.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -108.22 17.39 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 74.340000000000003 109.321 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 24.6 mmt180 -112.93 -177.9 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 73.040000000000006 110.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.665 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 15.5 mt -149.06 93.55 4.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.340000000000003 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.02 97.57 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.515 1.797 . . . . 73.200000000000003 110.989 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.92 126.73 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 74.409999999999997 109.283 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 HG12 ' CE1' ' A' ' 104' ' ' PHE . 2.6 mm -98.3 91.8 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 73.25 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 49' ' ' TYR . 49.9 t -94.53 157.41 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 108.321 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.81 170.86 14.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 75.420000000000002 110.274 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 2.1 tmtt? -100.15 134.13 43.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.150000000000006 109.33 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.61 111.39 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.120000000000005 109.294 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.17 -36.33 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.319999999999993 110.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -68.4 -38.63 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 65.530000000000001 109.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 p -48.36 175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 61.409999999999997 110.029 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -122.85 21.95 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 74.120000000000005 109.306 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -87.98 154.58 52.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 109.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.438 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.95 135.07 18.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 63.149999999999999 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -55.36 163.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 72.340000000000003 110.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' CD1' ' OH ' ' A' ' 109' ' ' TYR . 27.6 pt -114.58 166.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 75.310000000000002 109.279 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -47.65 -58.37 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 64.430000000000007 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.57 -167.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' HD2' ' CE2' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -119.23 101.46 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 73.129999999999995 110.279 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -159.27 102.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 109.326 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 97.2 m-85 -124.24 93.75 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 75.329999999999998 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD13 ' CA ' ' A' ' 30' ' ' PRO . 4.8 tp -95.63 96.79 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 71.109999999999999 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.65 153.66 44.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 74.040000000000006 109.342 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 75.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.28 18.52 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 73.549999999999997 109.324 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -124.44 1.76 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 72.400000000000006 109.326 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' CD1' HG13 ' A' ' 51' ' ' VAL . 4.0 tt -93.72 155.75 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 75.319999999999993 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -105.29 154.87 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.329999999999998 110.41 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 60' ' ' PHE . 73.1 t -47.54 -44.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 72.140000000000001 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' VAL . . . -40.61 -58.8 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 62.299999999999997 111.017 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -45.44 -37.6 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 72.209999999999994 110.319 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' HD13 ' A' ' 64' ' ' ILE . 10.2 t80 -63.64 -36.38 83.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 74.340000000000003 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' GLY . 11.1 t -68.63 -16.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 73.200000000000003 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.543 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -86.72 -63.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.5 111.006 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 m -44.8 -47.85 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 73.230000000000004 109.314 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -56.53 -64.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 64.420000000000002 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' N ' HG21 ' A' ' 64' ' ' ILE . 18.6 ttm180 -40.62 -28.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 75.239999999999995 110.268 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.543 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -79.76 -49.19 12.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 75.319999999999993 109.271 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 64' ' ' ILE . 4.6 mmp_? -50.15 -21.82 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 75.030000000000001 110.259 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.501 ' C ' ' CG ' ' A' ' 69' ' ' MET . 1.0 OUTLIER -106.58 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 63.420000000000002 109.299 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 72.2 31.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 75.230000000000004 110.965 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HG ' ' CD ' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -64.32 152.72 88.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 74.040000000000006 109.29 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 73.200000000000003 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 64.319999999999993 110.981 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.32 -29.63 13.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 65.420000000000002 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 4.2 mttp -69.73 170.42 10.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.239999999999995 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.67 106.13 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.432 ' CD1' HD11 ' A' ' 68' ' ' ILE . 6.5 tt -102.66 130.82 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 64.040000000000006 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -110.61 138.63 46.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 74.519999999999996 110.988 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 109' ' ' TYR . 1.7 mm -94.24 141.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 74.439999999999998 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CE2' HD12 ' A' ' 84' ' ' LEU . 38.4 m-85 -129.18 129.71 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.140000000000001 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.522 ' CG2' ' ND1' ' A' ' 98' ' ' HIS . 1.3 p -129.34 128.82 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 74.030000000000001 109.307 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.57 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 77.2 m-20 58.42 37.45 25.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 74.239999999999995 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 59.95 34.28 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.430000000000007 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.97 -173.79 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 73.439999999999998 110.387 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.535 HD12 ' CE2' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -147.08 94.8 4.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.430000000000007 109.298 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.45 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 164.04 34.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.773 . . . . 63.530000000000001 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.86 40.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 74.549999999999997 110.976 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -17.33 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 73.109999999999999 110.397 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.17 -26.58 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 109.267 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.45 133.98 19.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 74.519999999999996 109.274 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 tp -86.07 135.64 33.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 65.150000000000006 109.302 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.9 mmm -62.93 -11.71 20.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.040000000000006 110.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.9 p -84.28 -44.45 13.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 72.319999999999993 109.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.3 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 64.140000000000001 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.567 HG21 ' CD2' ' A' ' 98' ' ' HIS . 19.3 mm -65.51 -61.36 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 71.140000000000001 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.665 ' CD2' ' CG2' ' A' ' 29' ' ' ILE . 4.1 t80 -54.92 -22.1 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 75.349999999999994 110.996 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.63 -36.38 76.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 74.310000000000002 110.307 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -109.01 -0.77 19.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 73.439999999999998 110.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.57 ' HD1' ' ND2' ' A' ' 81' ' ' ASN . 42.8 m-70 -109.53 -21.47 12.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 72.530000000000001 109.603 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -44.65 142.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 75.120000000000005 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.12 179.75 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 75.030000000000001 109.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -68.16 -17.97 64.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 74.109999999999999 109.303 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 3.7 p-10 -90.71 -14.77 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 62.299999999999997 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -54.02 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 75.450000000000003 110.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -51.64 170.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 75.420000000000002 110.982 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tp -115.08 128.34 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 75.310000000000002 109.32 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -101.7 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 73.129999999999995 110.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -144.04 165.31 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 m -155.58 133.21 11.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.010000000000005 110.401 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' A' ' 35' ' ' LYS . 2.2 p90 -107.61 -179.91 4.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 72.109999999999999 110.938 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.5 p -169.96 131.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 110.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -47.26 -23.51 1.88 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 64.099999999999994 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -104.67 157.74 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 74.140000000000001 110.328 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.72 70.18 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 62.310000000000002 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 p -129.67 157.51 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 73.439999999999998 110.408 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -95.55 -0.14 52.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 72.450000000000003 110.971 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 74.239999999999995 111.007 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mmm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.453 0.168 . . . . 74.5 111.044 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -87.89 -73.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 74.510000000000005 109.322 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -117.21 113.33 22.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 110.014 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 5.0 p -92.94 -1.79 56.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 64.120000000000005 110.412 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 2.8 m-30 -68.87 -38.8 79.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 75.409999999999997 111.028 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -33.14 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 72.439999999999998 109.345 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -79.57 -66.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 72.150000000000006 110.031 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 4' ' ' THR . 1.9 tp10 -57.69 -40.95 80.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 75.219999999999999 110.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -123.31 164.76 25.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 75.439999999999998 110.972 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 162.98 36.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 60.229999999999997 111.008 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.45 -28.49 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 75.219999999999999 110.946 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.99 -30.46 67.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 75.219999999999999 110.309 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' ALA . 23.6 tptt -57.07 -66.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 74.310000000000002 109.323 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -42.8 -45.26 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 73.439999999999998 110.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -61.56 -42.39 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 109.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -53.22 -61.76 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.239999999999995 109.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.98 -52.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 62.229999999999997 110.287 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -51.42 -45.92 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 74.010000000000005 110.029 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.9 mt-10 -55.68 -26.82 46.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 72.120000000000005 110.256 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -79.96 -34.04 39.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 75.310000000000002 110.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.2 mt -77.21 -27.63 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 72.409999999999997 109.314 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.94 -22.07 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 70.120000000000005 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -94.01 -18.04 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.099999999999994 109.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -105.19 -64.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 74.549999999999997 110.302 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.3 m-85 -121.83 76.05 38.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 75.409999999999997 111.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 75.430000000000007 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -101.34 12.59 37.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 63.520000000000003 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 50' ' ' LEU . 6.4 mmm180 -112.15 -177.86 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 74.230000000000004 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.551 HG22 ' CD2' ' A' ' 95' ' ' TYR . 45.8 mt -147.0 90.55 5.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -74.98 102.38 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 71.540000000000006 111.02 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.552 HG12 ' CE1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -87.48 154.57 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.558 HG12 ' CE1' ' A' ' 104' ' ' PHE . 2.4 mm -133.1 92.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 74.120000000000005 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.474 ' CB ' HG21 ' A' ' 107' ' ' VAL . 14.2 p -89.0 157.42 18.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 72.530000000000001 108.326 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 108' ' ' THR . 31.6 mt-10 -136.45 119.97 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.030000000000001 110.304 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.543 ' NZ ' ' CG1' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -40.24 139.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 74.420000000000002 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.36 109.47 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 65.030000000000001 109.284 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -47.57 -33.69 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 75.140000000000001 110.314 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -57.5 -42.94 83.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 74.409999999999997 109.272 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.4 ' OG ' ' OG ' ' A' ' 110' ' ' SER . 0.7 OUTLIER -56.63 167.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.430000000000007 109.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -124.56 13.61 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 74.319999999999993 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CG1' ' NZ ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -79.34 161.73 66.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 72.430000000000007 109.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.65 19.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 75.049999999999997 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.6 161.59 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 74.319999999999993 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.431 ' CG2' HG23 ' A' ' 68' ' ' ILE . 29.8 pt -109.81 -172.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 74.349999999999994 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -80.15 -55.85 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 74.230000000000004 109.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.88 160.95 36.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 75.120000000000005 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -105.69 101.85 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 72.540000000000006 110.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -158.78 110.72 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 71.319999999999993 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.561 ' CE1' HG13 ' A' ' 63' ' ' VAL . 49.6 m-85 -136.47 123.9 22.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 74.120000000000005 110.965 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 5.7 mt -109.47 101.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 75.120000000000005 109.305 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -109.58 152.5 42.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 75.420000000000002 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.23 14.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 74.030000000000001 111.025 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.16 17.77 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 73.25 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -124.54 1.96 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.099999999999994 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 56' ' ' THR . 4.0 tt -92.28 154.1 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.7 p -100.96 160.81 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 74.540000000000006 110.396 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' PHE . 63.9 t -55.91 -52.42 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 65.430000000000007 109.279 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.68 -42.91 2.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 110.983 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -57.31 -43.23 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 74.230000000000004 110.268 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.552 ' CE1' HG12 ' A' ' 31' ' ' VAL . 20.5 t80 -61.22 -58.85 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.219999999999999 111.0 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' CG2' HG12 ' A' ' 78' ' ' ILE . 21.8 t -40.43 -29.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.530000000000001 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' PHE . 7.8 t80 -77.7 -48.32 17.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 64.200000000000003 110.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.561 HG13 ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -46.01 -45.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 71.129999999999995 109.345 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.495 HD13 ' CZ ' ' A' ' 60' ' ' PHE . 1.4 mp -63.92 -51.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 73.329999999999998 109.246 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.9 ttp180 -46.04 -24.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 65.540000000000006 110.354 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -50.95 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 70.409999999999997 109.282 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -54.17 -28.13 38.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 71.340000000000003 110.31 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.3 pt -107.07 -14.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 62.240000000000002 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.5 ptp 42.44 47.19 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 73.340000000000003 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 164.76 17.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 74.239999999999995 109.328 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.39 27.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 74.219999999999999 110.961 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.812 . . . . 75.510000000000005 111.027 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.48 -36.42 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 74.319999999999993 110.337 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.37 173.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 60.399999999999999 109.281 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.84 108.43 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 3.5 tt -99.37 159.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 75.409999999999997 109.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -148.51 137.87 21.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 110.992 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.45 HG12 ' CG2' ' A' ' 61' ' ' VAL . 15.8 mm -93.65 152.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 73.319999999999993 109.279 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 114' ' ' THR . 4.5 m-85 -136.71 140.22 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 73.530000000000001 111.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -126.6 123.8 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.624 ' N ' HD21 ' A' ' 81' ' ' ASN . 1.3 m-80 59.12 41.5 20.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 72.319999999999993 109.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.22 30.9 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.510000000000005 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.63 176.42 7.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 64.329999999999998 110.399 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.521 HD12 ' CE1' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -133.19 95.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 72.319999999999993 109.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.75 28.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.541 1.811 . . . . 72.540000000000006 111.027 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 157.27 42.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 72.5 110.991 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.17 -14.29 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.200000000000003 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.96 -26.69 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 73.239999999999995 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.17 136.07 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 109.336 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tp -86.3 132.89 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 71.209999999999994 109.317 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.3 mmm -61.29 -13.06 16.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 74.129999999999995 111.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.0 p -81.13 -45.9 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 75.099999999999994 110.015 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.26 -31.78 58.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 71.540000000000006 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.409 HG21 ' CD2' ' A' ' 98' ' ' HIS . 13.4 mm -67.6 -60.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.140000000000001 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CD2' HG22 ' A' ' 29' ' ' ILE . 6.4 t80 -61.05 -22.08 64.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 73.230000000000004 110.979 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.18 -34.86 77.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 74.209999999999994 110.305 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.5 -0.71 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 74.049999999999997 110.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.561 ' CE1' HG21 ' A' ' 80' ' ' VAL . 80.4 m-70 -114.08 -12.19 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 72.439999999999998 109.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -45.11 142.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 3.0 t70 -96.86 179.66 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 72.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -76.91 -12.95 60.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 72.409999999999997 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.5 p30 -103.32 14.24 31.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 72.530000000000001 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.31 -61.89 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 71.310000000000002 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -46.34 172.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 63.530000000000001 110.984 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.3 tp -115.33 165.16 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 75.219999999999999 109.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.654 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -131.51 122.2 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 111.008 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.474 HG21 ' CB ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -143.74 177.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.340000000000003 109.296 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 2.3 m -151.05 132.47 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.340000000000003 110.413 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.417 ' CE1' ' SG ' ' A' ' 33' ' ' CYS . 46.1 p90 -113.94 136.53 52.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.549999999999997 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.4 ' OG ' ' OG ' ' A' ' 39' ' ' SER . 37.8 t -142.41 153.1 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 61.229999999999997 109.959 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.42 -6.01 52.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.523 1.14 . . . . 74.530000000000001 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -109.32 156.65 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.786 . . . . 74.030000000000001 110.322 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.64 50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.573 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 22.9 p -93.23 171.53 8.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.450000000000003 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -101.61 5.75 41.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 72.349999999999994 111.009 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 74.040000000000006 110.996 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.472 0.177 . . . . 74.409999999999997 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.64 -67.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 73.109999999999999 109.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -128.79 103.68 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 72.420000000000002 110.037 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p -57.42 -38.99 75.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 73.219999999999999 110.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 1.6 t80 -42.86 -26.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.209999999999994 111.035 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -55.9 -67.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.120000000000005 109.31 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 9' ' ' TYR . 8.5 m -90.72 -50.8 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 73.109999999999999 110.023 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -39.07 -31.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.420000000000002 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 7' ' ' SER . 6.9 m-85 -143.73 156.07 59.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 74.209999999999994 111.054 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.34 22.84 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.516 1.798 . . . . 73.420000000000002 110.997 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.448 ' C ' ' CD1' ' A' ' 11' ' ' PHE . 4.5 t80 -76.21 -39.35 54.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 75.209999999999994 110.958 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.47 -16.88 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 70.219999999999999 110.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -58.34 -69.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.109999999999999 109.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 5' ' ' PHE . 13.3 ptm180 -59.52 -49.41 77.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 74.010000000000005 110.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 25.3 tttp -47.4 -34.64 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.310000000000002 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.48 -44.72 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 63.149999999999999 109.247 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -47.39 -48.18 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 75.209999999999994 110.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -60.4 -45.39 93.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 75.239999999999995 109.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -51.19 -27.48 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 64.409999999999997 110.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -80.57 -57.44 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 75.439999999999998 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.4 mt -56.48 -20.65 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 64.530000000000001 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.8 -32.07 27.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 74.040000000000006 109.337 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.64 -35.14 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 109.287 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 5.3 tpt180 -84.41 -49.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.349999999999994 110.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 2.1 m-85 -139.89 88.29 12.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 65.040000000000006 111.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.44 12.54 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 75.420000000000002 110.995 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.32 24.37 11.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 62.409999999999997 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' CD ' HD13 ' A' ' 50' ' ' LEU . 18.9 mmt-85 -117.97 -177.81 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 75.540000000000006 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.627 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 13.6 mt -149.95 96.37 3.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 75.530000000000001 109.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.548 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.06 95.62 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 71.439999999999998 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -85.77 160.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 71.019999999999996 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.539 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 8.1 mm -134.23 93.6 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.540000000000006 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 46.0 t -98.45 157.21 16.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 73.25 108.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.547 ' CG ' ' NH2' ' A' ' 47' ' ' ARG . 39.6 mt-10 -139.92 118.43 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 73.319999999999993 110.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -50.01 136.53 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 75.120000000000005 109.267 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 39' ' ' SER . . . -66.0 109.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 62.130000000000003 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.53 -44.45 56.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 75.519999999999996 110.275 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -62.29 -35.83 80.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 74.120000000000005 109.257 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 5.0 p -46.82 171.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 73.030000000000001 109.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.36 19.36 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 75.340000000000003 109.302 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.68 161.09 40.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 75.120000000000005 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.88 6.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.768 . . . . 73.420000000000002 110.963 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.64 164.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 70.129999999999995 110.311 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 4.7 pt -105.83 170.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 74.310000000000002 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -63.15 -57.4 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 60.109999999999999 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 -174.43 3.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 74.049999999999997 109.313 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.547 ' NH2' ' CG ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -126.17 101.61 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 71.439999999999998 110.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -159.46 115.94 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.019999999999996 109.265 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CE2' HG13 ' A' ' 64' ' ' ILE . 81.1 m-85 -129.7 93.77 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.977 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD13 ' CD ' ' A' ' 28' ' ' ARG . 1.1 tm? -77.18 92.0 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 74.549999999999997 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 146.16 33.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 74.299999999999997 109.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 75.450000000000003 110.99 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . . . -90.03 18.53 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -124.63 2.05 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 73.400000000000006 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 56' ' ' THR . 5.5 tt -94.66 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 71.129999999999995 109.345 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.5 p -111.58 165.01 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.540000000000006 110.384 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -52.22 -39.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 74.510000000000005 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.498 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -42.88 -61.29 2.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 70.450000000000003 111.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 65.7 mm-40 -45.83 -49.34 15.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 73.310000000000002 110.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 10.1 t80 -49.69 -58.43 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 54.450000000000003 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.0 t -44.57 -28.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.530000000000001 109.353 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 3.1 t80 -84.81 -44.21 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.530000000000001 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 t -52.76 -55.53 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 75.209999999999994 109.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.496 HG13 ' CE2' ' A' ' 49' ' ' TYR . 2.1 mp -54.25 -53.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 74.040000000000006 109.284 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' MET . 12.9 ttp85 -39.73 -32.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 74.450000000000003 110.332 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -80.48 -47.92 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 74.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.0 mpt_? -56.31 -28.87 60.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 74.409999999999997 110.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.3 pt -107.7 -11.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.120000000000005 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 21.0 ptp 41.4 50.71 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 75.439999999999998 110.953 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 68' ' ' ILE . 11.9 mt -64.51 163.97 23.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 74.239999999999995 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 157.42 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 65.329999999999998 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.77 10.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 70.530000000000001 111.031 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.85 -13.61 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -95.8 178.88 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 72.439999999999998 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.49 108.36 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 72.439999999999998 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.538 HD13 ' CD1' ' A' ' 109' ' ' TYR . 6.8 tt -95.53 154.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 74.400000000000006 109.298 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -137.33 149.28 46.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 72.25 110.986 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.583 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 3.7 mm -100.1 158.87 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.040000000000006 109.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 78' ' ' ILE . 14.6 m-85 -147.2 151.81 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 75.209999999999994 111.009 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.608 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -137.44 123.85 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 71.430000000000007 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 55.67 51.8 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 74.450000000000003 109.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 52.91 44.12 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 64.340000000000003 109.29 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.76 171.08 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 71.400000000000006 110.451 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 79' ' ' PHE . 1.7 tt -128.14 95.2 34.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 70.430000000000007 109.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 169.13 23.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 73.230000000000004 110.968 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.37 40.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 74.540000000000006 110.976 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.498 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -82.11 -13.33 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 75.209999999999994 110.393 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.13 -22.6 26.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 73.420000000000002 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . . . -48.82 139.65 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.430000000000007 109.285 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tp -91.57 131.57 36.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 64.530000000000001 109.293 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.7 mmm -60.25 -15.41 24.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 74.219999999999999 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 -43.38 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 65.400000000000006 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.08 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 74.299999999999997 109.31 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 89' ' ' ALA . 15.7 mm -46.2 -58.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 74.5 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 t80 -59.24 -31.97 69.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 75.439999999999998 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -70.08 -28.66 65.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 73.400000000000006 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.87 -0.58 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 75.420000000000002 110.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.608 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 84.8 m-70 -122.52 0.21 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 72.409999999999997 109.576 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -69.28 134.86 49.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 109.307 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.507 ' CG ' ' CE1' ' A' ' 106' ' ' TYR . 9.1 m-20 -102.62 179.23 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 70.230000000000004 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 74.340000000000003 109.257 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 11' ' ' PHE . 3.1 p30 -86.9 9.04 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 71.439999999999998 109.313 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.13 -67.87 0.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 110.957 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -46.89 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 75.439999999999998 110.954 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 95' ' ' TYR . 8.1 tp -113.37 165.07 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 65.129999999999995 109.34 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -133.2 119.01 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.239999999999995 110.994 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.504 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -136.01 164.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 75.439999999999998 109.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.497 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 93.1 m -152.44 126.72 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 64.540000000000006 110.386 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.538 ' CD1' HD13 ' A' ' 76' ' ' ILE . 5.6 p90 -113.7 151.93 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 63.039999999999999 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.1 p -144.69 148.1 33.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.520000000000003 110.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -56.23 -17.01 16.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 75.329999999999998 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -104.86 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 75.319999999999993 110.304 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -92.55 23.7 3.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 70.230000000000004 109.249 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.487 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 2.5 p -100.37 156.74 17.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 73.030000000000001 110.424 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -79.8 -5.33 55.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 74.519999999999996 111.006 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 54.210000000000001 110.996 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tpp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.516 0.198 . . . . 74.230000000000004 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -79.25 -72.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 75.430000000000007 109.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 t -61.24 114.29 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 73.129999999999995 110.055 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' SER . 2.8 p -94.99 -0.73 53.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 110.4 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -37.75 -32.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 74.319999999999993 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 4' ' ' THR . 1.8 ttpm? -68.12 -54.1 20.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 74.400000000000006 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' THR . 72.0 m -84.31 -67.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 63.25 109.982 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.593 ' OE2' ' CD2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -39.01 -53.37 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 110.252 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.593 ' CD2' ' OE2' ' A' ' 8' ' ' GLU . 6.8 m-85 -107.59 155.8 39.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 75.239999999999995 110.999 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.3 18.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 61.039999999999999 110.992 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 12' ' ' GLU . 23.9 p90 -88.17 -37.04 16.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 74.120000000000005 110.973 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 11' ' ' PHE . 11.1 mt-10 -53.95 -26.17 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 75.230000000000004 110.257 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -60.36 -68.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 74.510000000000005 109.287 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 9.6 mmm180 -55.73 -19.56 11.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.430000000000007 110.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -66.23 -49.29 67.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 73.310000000000002 109.29 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.97 -42.12 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 75.040000000000006 109.301 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -67.97 -19.76 64.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 74.239999999999995 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -87.43 -36.32 17.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 73.040000000000006 110.046 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 64.540000000000006 110.237 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -82.42 -44.0 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 70.420000000000002 110.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.417 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 35.8 mt -65.93 -31.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 75.530000000000001 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -82.88 -43.14 16.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 55.350000000000001 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.92 -47.58 80.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 73.200000000000003 109.289 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.559 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -79.73 -46.93 16.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 110.345 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.4 m-85 -130.46 77.13 76.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 73.340000000000003 111.006 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.95 -0.88 10.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 75.430000000000007 111.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.17 22.17 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 72.340000000000003 109.299 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 13.9 mmt180 -118.01 -177.91 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 73.140000000000001 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 91' ' ' MET . 2.8 mt -141.96 92.91 7.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 70.25 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.56 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -74.95 103.58 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 73.209999999999994 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 3.8 t -101.21 152.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 75.209999999999994 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 47' ' ' ARG . 2.0 mm -122.58 92.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 73.409999999999997 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -85.26 127.21 34.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 72.109999999999999 108.304 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' O ' ' CG2' ' A' ' 108' ' ' THR . 0.3 OUTLIER -112.85 148.17 35.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 74.409999999999997 110.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 143.13 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 75.329999999999998 109.258 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.75 109.0 20.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 73.140000000000001 109.301 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -49.98 -41.75 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.420000000000002 110.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 27.0 mttp -44.53 -36.75 3.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 75.319999999999993 109.286 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -68.22 173.85 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.319999999999993 110.043 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -119.99 1.01 10.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 74.140000000000001 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.467 ' CD1' HD13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -74.08 163.12 70.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.319999999999993 109.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.21 36.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 61.340000000000003 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 71.25 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 pt -113.09 -172.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 74.310000000000002 109.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -76.47 -57.52 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 72.439999999999998 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 -172.96 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 74.530000000000001 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.476 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -116.2 106.18 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 74.450000000000003 110.301 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -158.6 103.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 72.319999999999993 109.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 6.0 m-85 -126.69 133.73 50.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.200000000000003 110.983 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 13.7 tp -131.34 100.96 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 54.25 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -112.55 154.66 44.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 73.040000000000006 109.344 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.13 15.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.475 1.776 . . . . 72.340000000000003 110.991 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.76 18.33 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 61.200000000000003 109.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -124.63 2.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 62.530000000000001 109.251 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 56' ' ' THR . 4.8 tt -94.25 155.88 16.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.319999999999993 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 16.4 p -108.89 164.37 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 63.409999999999997 110.431 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.7 t -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.23 -57.6 2.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 72.420000000000002 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 42.5 mm-40 -45.38 -46.6 13.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 74.549999999999997 110.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 19.3 t80 -52.78 -50.0 64.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.319999999999993 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' CG2' HG12 ' A' ' 78' ' ' ILE . 16.2 t -48.77 -30.9 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 73.319999999999993 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.4 t80 -82.86 -31.61 27.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 74.400000000000006 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 t -58.31 -50.91 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 64.109999999999999 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.515 HD13 ' CE2' ' A' ' 60' ' ' PHE . 2.2 mp -59.63 -51.23 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.129999999999995 109.287 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' MET . 31.5 ttm-85 -42.42 -29.04 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.142 . . . . 75.549999999999997 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -79.3 -46.16 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 71.349999999999994 109.326 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -58.6 -31.06 67.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.439999999999998 110.281 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 76' ' ' ILE . 1.4 pt -107.21 -5.12 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.0 ptp 41.68 48.93 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 72.109999999999999 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.76 156.52 88.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 63.119999999999997 109.268 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 75.120000000000005 111.0 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 74.140000000000001 111.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -95.08 -35.93 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 73.219999999999999 110.275 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.02 177.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 75.099999999999994 109.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.41 109.03 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 71.120000000000005 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 2.5 tt -108.08 142.61 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -123.0 139.9 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 75.209999999999994 110.965 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.486 ' CD1' ' N ' ' A' ' 78' ' ' ILE . 1.4 mm -96.1 131.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.099999999999994 109.288 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 54.4 m-85 -126.25 117.66 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.150000000000006 111.001 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.415 ' CG1' ' CE1' ' A' ' 98' ' ' HIS . 1.3 p -110.75 131.63 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 71.340000000000003 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.647 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 3.1 m-80 45.44 64.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 74.299999999999997 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 40.49 36.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 74.140000000000001 109.282 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -136.27 179.09 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 64.439999999999998 110.369 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 79' ' ' PHE . 2.9 tp -139.72 99.69 7.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 71.209999999999994 109.332 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 164.08 34.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 75.25 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.14 37.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 74.109999999999999 110.967 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -79.65 -0.9 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 72.450000000000003 110.388 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.5 -30.58 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 63.030000000000001 109.355 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.13 142.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 73.200000000000003 109.289 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 tp -94.52 136.57 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.453 ' O ' ' CD1' ' A' ' 29' ' ' ILE . 72.3 mmm -61.99 -12.63 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.439999999999998 110.991 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -78.75 -49.76 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 73.450000000000003 110.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.74 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 74.510000000000005 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.527 HG22 ' CD2' ' A' ' 98' ' ' HIS . 17.3 mm -63.22 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 74.519999999999996 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.598 ' CD2' ' CD1' ' A' ' 105' ' ' LEU . 3.0 t80 -56.16 -21.9 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.63 -38.38 86.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 72.400000000000006 110.235 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -110.87 -0.73 16.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 72.120000000000005 110.287 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.647 ' HD1' ' ND2' ' A' ' 81' ' ' ASN . 92.8 m-70 -119.33 27.27 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 62.109999999999999 109.557 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -101.67 131.74 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 75.209999999999994 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -90.47 179.97 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 72.439999999999998 109.333 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -63.94 -15.54 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 75.540000000000006 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -92.96 -15.21 26.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 74.120000000000005 109.294 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.51 -51.4 1.38 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.471 1.107 . . . . 73.420000000000002 110.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 2.3 m-85 -46.15 172.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 74.239999999999995 110.991 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.598 ' CD1' ' CD2' ' A' ' 95' ' ' TYR . 2.8 mp -113.98 155.87 25.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 52.520000000000003 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -125.24 105.62 9.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 74.5 110.976 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.46 HG23 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -132.65 160.94 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.443 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 6.3 m -143.94 130.85 20.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 63.149999999999999 110.385 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.48 ' CD1' HD13 ' A' ' 76' ' ' ILE . 6.7 p90 -101.5 152.67 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 71.319999999999993 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.5 p -158.57 123.62 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 61.020000000000003 109.999 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -45.46 -24.96 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 75.019999999999996 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.09 159.73 15.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 75.549999999999997 110.299 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -96.33 69.61 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 73.430000000000007 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.546 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 3.3 p -125.91 149.13 48.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 63.119999999999997 110.382 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.41 ' HA ' ' CD1' ' A' ' 79' ' ' PHE . 78.6 m-85 -92.71 -2.63 55.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 71.510000000000005 111.0 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 74.209999999999994 110.973 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.449 0.166 . . . . 73.040000000000006 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -123.78 -46.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 74.010000000000005 109.266 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 p -134.1 90.47 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 65.040000000000006 109.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.0 p -93.91 -26.88 16.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 73.329999999999998 110.42 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.587 ' CE2' ' CD ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -57.42 -23.21 48.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 73.200000000000003 111.005 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -59.98 -57.69 11.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 74.439999999999998 109.276 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' TYR . 2.2 t -94.73 -60.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 73.340000000000003 109.991 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 4' ' ' THR . 6.5 tt0 -38.7 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 74.519999999999996 110.355 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' SER . 1.4 m-85 -130.74 97.5 21.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 74.439999999999998 111.062 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.65 34.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.554 1.818 . . . . 74.540000000000006 111.032 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CE1' ' OD2' ' A' ' 102' ' ' ASP . 59.3 t80 -54.35 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 111.018 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 21.6 tt0 -37.77 -60.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 75.519999999999996 110.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.43 -63.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 71.129999999999995 109.316 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 85.8 mtm180 -45.44 -57.42 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 110.298 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -48.03 -32.89 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 72.420000000000002 109.335 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.71 -39.06 80.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 62.149999999999999 109.278 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 12.0 tt0 -58.17 -26.87 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 71.439999999999998 110.243 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -87.59 -21.07 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 65.340000000000003 109.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.05 -38.76 69.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 63.310000000000002 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 10.3 ptt85 -74.58 -43.56 55.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 72.400000000000006 110.297 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.501 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 1.8 mt -60.94 -21.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 75.519999999999996 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.12 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 52.329999999999998 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.2 -14.91 34.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 73.310000000000002 109.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.588 ' CG ' ' CE2' ' A' ' 25' ' ' PHE . 8.6 tpt180 -101.57 -61.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 75.099999999999994 110.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CE2' ' CG ' ' A' ' 24' ' ' ARG . 1.6 m-85 -136.97 89.99 16.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 75.310000000000002 111.012 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.67 10.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.319999999999993 110.993 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -107.17 12.23 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 73.439999999999998 109.268 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -100.1 175.53 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 75.109999999999999 110.324 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.469 HG21 ' CD1' ' A' ' 105' ' ' LEU . 3.0 mt -136.11 96.44 12.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 75.400000000000006 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.4 2.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 73.349999999999994 110.989 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 60' ' ' PHE . 2.0 t -87.86 129.77 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 75.209999999999994 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 104' ' ' PHE . 0.2 OUTLIER -110.3 107.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 75.040000000000006 109.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.456 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -95.72 129.22 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 72.430000000000007 108.269 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.587 ' CD ' ' CE2' ' A' ' 5' ' ' PHE . 23.9 mt-10 -113.7 118.35 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 74.349999999999994 110.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.15 133.75 56.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.129999999999995 109.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -66.52 119.52 11.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 73.430000000000007 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -45.78 -39.62 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 75.400000000000006 110.264 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' SER . 28.8 mttm -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 75.129999999999995 109.294 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -39.47 134.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 72.299999999999997 109.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -96.95 27.69 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 74.400000000000006 109.336 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.528 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -99.95 162.19 21.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 74.150000000000006 109.314 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.39 17.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 74.450000000000003 110.985 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.72 170.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 4.3 pt -119.21 173.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 63.450000000000003 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.72 -61.82 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 74.420000000000002 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -146.75 163.45 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 74.540000000000006 109.285 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 52.0 mtt85 -101.75 101.19 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 75.140000000000001 110.301 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.56 133.18 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.340000000000003 109.329 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.456 ' CE2' ' CB ' ' A' ' 33' ' ' CYS . 89.9 m-85 -145.95 93.85 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 72.219999999999999 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -89.8 96.52 10.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 73.010000000000005 109.34 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.82 151.84 43.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 74.299999999999997 109.259 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.12 15.06 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 74.439999999999998 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.21 14.15 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 51.409999999999997 109.319 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -124.4 7.25 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.331 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 51' ' ' VAL . 5.9 tt -96.65 155.2 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.310000000000002 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 p -108.78 154.92 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 74.530000000000001 110.387 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.8 t -49.33 -38.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.485 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -40.18 -48.7 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 71.120000000000005 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 22.3 mm-40 -64.83 -49.32 71.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 75.230000000000004 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 31' ' ' VAL . 1.4 t80 -48.2 -51.59 24.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 111.039 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.58 -21.68 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 74.140000000000001 109.267 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -77.57 -61.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.439999999999998 111.044 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 60' ' ' PHE . 4.0 m -40.4 -43.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 74.340000000000003 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -56.25 -57.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 75.540000000000006 109.3 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -47.24 -24.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 62.439999999999998 110.317 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.5 -45.21 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 75.430000000000007 109.241 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -57.93 -26.41 62.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 110.278 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.3 pt -111.23 -10.69 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 72.219999999999999 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 14.6 ptp 42.38 45.95 3.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.120000000000005 111.037 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.404 HD22 ' CD1' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -66.29 160.61 64.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 75.049999999999997 109.266 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 168.37 24.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.807 . . . . 75.099999999999994 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.08 9.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 72.019999999999996 110.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.57 -35.28 11.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.420000000000002 110.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -64.13 166.77 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 72.420000000000002 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.18 112.14 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 70.140000000000001 109.273 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 2.2 tt -104.19 165.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 73.209999999999994 109.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -156.59 141.02 16.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 72.040000000000006 111.02 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 9.3 mm -88.56 160.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 71.030000000000001 109.251 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 84' ' ' LEU . 65.1 m-85 -149.39 116.08 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.140000000000001 111.001 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.601 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.4 m -116.85 126.28 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 64.540000000000006 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.532 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 6.0 m-80 50.64 57.8 6.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 65.230000000000004 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 44.89 47.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 74.319999999999993 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -140.11 -173.5 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 65.200000000000003 110.397 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -144.0 95.0 5.75 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 75.230000000000004 109.283 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.59 42.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 75.439999999999998 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 72.340000000000003 111.025 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.485 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -86.06 -9.99 55.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 110.353 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.59 16.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 74.010000000000005 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.97 140.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 74.400000000000006 109.317 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tp -90.1 134.36 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 74.450000000000003 109.262 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.46 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -60.9 -17.27 49.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 74.340000000000003 111.009 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -73.27 -48.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 73.409999999999997 109.972 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -40.82 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 72.329999999999998 109.281 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' HIS . 19.4 mm -54.84 -57.0 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 70.310000000000002 109.263 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.583 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.8 t80 -62.88 -31.78 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -67.78 -26.91 66.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 110.263 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -110.98 -1.44 16.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 72.420000000000002 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.601 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 96.5 m-70 -126.19 19.47 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 61.409999999999997 109.565 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -84.47 137.37 33.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 75.239999999999995 109.276 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.61 179.94 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 71.519999999999996 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.0 -61.97 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 74.230000000000004 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.591 ' OD2' ' CE1' ' A' ' 11' ' ' PHE . 18.5 m-20 -47.71 -46.22 29.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 65.030000000000001 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 3.86 9.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.536 1.147 . . . . 74.140000000000001 110.974 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.559 ' CE1' HD11 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -94.19 132.94 38.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 74.430000000000007 110.99 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.583 HD12 ' CD1' ' A' ' 95' ' ' TYR . 6.0 mt -79.74 149.41 31.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.409999999999997 109.268 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 104' ' ' PHE . 98.3 m-85 -133.58 116.17 15.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 72.420000000000002 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 108' ' ' THR . 2.1 p -140.94 165.63 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 75.219999999999999 109.306 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 3.5 m -144.87 139.91 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 73.519999999999996 110.359 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.528 ' CE2' HD12 ' A' ' 41' ' ' ILE . 14.3 p90 -126.69 152.72 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.239999999999995 111.046 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.0 t -144.41 169.26 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 71.150000000000006 109.984 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.63 21.78 24.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 73.540000000000006 111.044 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.3 157.35 43.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 72.329999999999998 110.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.406 ' ND2' HD13 ' A' ' 84' ' ' LEU . 2.3 t-20 -93.92 70.58 4.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 74.299999999999997 109.29 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.481 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 4.2 p -143.16 147.75 35.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 74.129999999999995 110.376 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -94.36 0.27 55.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 73.129999999999995 110.993 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 111.018 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.528 0.204 . . . . 73.200000000000003 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -64.45 -69.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 64.540000000000006 109.303 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.432 ' HB3' ' CE1' ' A' ' 5' ' ' PHE . 9.3 t -103.38 158.06 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 72.129999999999995 109.981 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 p -107.79 -19.22 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 72.549999999999997 110.413 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -43.73 -26.53 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 73.209999999999994 110.969 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HG2' ' CE1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -59.44 -68.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 73.219999999999999 109.287 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 9' ' ' TYR . 33.7 t -84.61 -59.56 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 54.350000000000001 110.037 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -38.92 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 63.329999999999998 110.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' SER . 2.9 m-85 -136.09 89.83 19.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 75.129999999999995 111.025 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.18 39.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.542 1.812 . . . . 74.420000000000002 110.955 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CE1' ' CG ' ' A' ' 102' ' ' ASP . 0.5 OUTLIER -52.7 -66.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 74.209999999999994 111.02 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -38.95 -45.45 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 72.340000000000003 110.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' NZ ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -57.65 -70.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.294 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 25.3 mtt-85 -40.02 -58.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 75.109999999999999 110.335 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -41.59 -42.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 75.329999999999998 109.343 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.75 -60.21 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.109999999999999 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' OE1' ' NZ ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -39.65 -43.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 110.334 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -63.44 -46.6 85.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.019999999999996 109.965 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ALA . 7.4 mm-40 -50.96 -27.16 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 63.340000000000003 110.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -79.47 -50.85 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.402 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 19.3 mt -60.33 -24.83 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 72.329999999999998 109.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.51 -26.77 34.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 74.129999999999995 109.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.2 -15.03 32.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.246 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -105.72 -62.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 73.439999999999998 110.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 6.3 m-85 -121.95 76.29 39.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.319999999999993 111.027 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 74.25 110.977 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -102.84 14.34 32.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 74.120000000000005 109.256 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.4 mmt-85 -115.49 -177.93 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 75.129999999999995 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' VAL . 33.9 mt -147.69 91.44 4.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.319999999999993 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.469 ' CA ' HD21 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.95 100.9 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 73.230000000000004 111.03 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.433 HG13 ' CE1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -85.54 163.85 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 65.400000000000006 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.541 ' CG2' ' NH2' ' A' ' 47' ' ' ARG . 18.5 mm -133.64 92.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 74.519999999999996 109.289 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 109' ' ' TYR . 1.7 m -93.26 157.37 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 63.420000000000002 108.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.477 ' O ' ' CG2' ' A' ' 108' ' ' THR . 1.7 pt-20 -146.72 118.85 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 75.019999999999996 110.3 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -57.12 132.56 53.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 109.327 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.94 109.91 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 72.430000000000007 109.272 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 15.6 pt-20 -42.62 -47.86 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 71.319999999999993 110.316 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.36 -47.07 9.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 74.209999999999994 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.4 ' OG ' ' OG ' ' A' ' 110' ' ' SER . 0.7 OUTLIER -49.26 170.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 63.020000000000003 109.978 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.32 15.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 109.304 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -72.68 160.41 82.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.409999999999997 109.276 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 126.88 10.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 75.049999999999997 110.985 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.66 158.38 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 62.25 110.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 68' ' ' ILE . 47.4 pt -111.56 -174.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 71.230000000000004 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -82.48 -53.06 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 73.25 109.289 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.57 173.18 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.230000000000004 109.319 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.541 ' NH2' ' CG2' ' A' ' 32' ' ' ILE . 2.1 ptm180 -117.8 101.31 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 71.420000000000002 110.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 127.16 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 73.239999999999995 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CD1' HG12 ' A' ' 63' ' ' VAL . 75.8 m-85 -145.15 98.7 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 74.530000000000001 110.971 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD21 ' CA ' ' A' ' 30' ' ' PRO . 11.8 mt -88.2 97.14 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 73.530000000000001 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.44 150.31 40.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 74.019999999999996 109.277 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.6 14.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 74.319999999999993 110.986 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.5 17.54 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 64.129999999999995 109.314 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -124.62 1.9 8.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 72.409999999999997 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 56' ' ' THR . 6.9 tt -89.93 156.34 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -108.05 159.59 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.319999999999993 110.398 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' PHE . 92.0 t -54.04 -47.37 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 60.299999999999997 109.324 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.05 -56.22 2.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 73.349999999999994 111.004 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -49.27 -41.6 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 74.409999999999997 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' VAL . 2.7 t80 -56.23 -60.47 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 73.530000000000001 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -40.68 -29.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 62.43 109.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.446 ' N ' ' C ' ' A' ' 60' ' ' PHE . 10.6 t80 -86.05 -43.43 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.209999999999994 111.037 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 49' ' ' TYR . 15.4 t -55.5 -38.02 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 65.549999999999997 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' ARG . 3.6 mp -68.47 -57.83 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 75.200000000000003 109.301 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' MET . 24.8 ttp180 -39.01 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 74.409999999999997 110.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -73.62 -53.12 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 73.319999999999993 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -51.31 -21.11 1.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.431 1.082 . . . . 74.239999999999995 110.28 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.448 ' CD1' HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -108.13 -21.16 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.219999999999999 109.284 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ARG . 1.1 mtt 68.52 27.08 6.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.510000000000005 110.969 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -64.05 156.12 75.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 75.329999999999998 109.316 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.54 20.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 74.239999999999995 110.975 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -3.24 13.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.821 . . . . 75.209999999999994 111.017 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -91.63 -35.28 14.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.409999999999997 110.279 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 172.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 71.340000000000003 109.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.31 106.06 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.329999999999998 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.446 ' CD1' HD13 ' A' ' 68' ' ' ILE . 2.8 tt -100.33 132.2 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 74.430000000000007 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 112' ' ' GLU . 23.6 m-85 -105.56 146.71 29.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 75.5 110.994 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.437 HG22 ' CG2' ' A' ' 107' ' ' VAL . 3.4 mm -109.43 139.41 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 72.040000000000006 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 94.6 m-85 -124.99 111.24 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 110.946 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.507 HG11 ' CG ' ' A' ' 98' ' ' HIS . 41.2 t -98.49 121.71 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 75.219999999999999 109.316 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' VAL . 9.6 m-80 40.35 53.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 74.209999999999994 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 56.04 43.85 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.420000000000002 109.274 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.561 HG21 ' CE1' ' A' ' 98' ' ' HIS . 0.6 OUTLIER -142.18 155.73 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 63.340000000000003 110.399 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.442 HD13 ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -127.48 92.27 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 75.25 109.31 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.93 25.95 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.463 1.77 . . . . 75.409999999999997 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 173.2 14.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.536 1.809 . . . . 60.43 110.983 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.63 -11.27 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.030000000000001 110.377 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -26.71 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 53.130000000000003 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 94' ' ' ILE . . . -45.96 139.66 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.310000000000002 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 tp -88.96 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 65.209999999999994 109.292 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 81.2 mmm -66.4 -9.31 32.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 71.530000000000001 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.9 t -86.31 -43.11 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 72.049999999999997 109.999 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.97 -28.39 32.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 73.319999999999993 109.29 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.467 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 15.7 mm -70.01 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.519999999999996 109.292 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 1.8 t80 -58.33 -25.46 61.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 61.450000000000003 111.03 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -71.1 -35.67 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.219999999999999 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -99.43 -1.89 37.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 73.439999999999998 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.561 ' CE1' HG21 ' A' ' 83' ' ' THR . 30.1 m-70 -126.06 10.76 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 109.594 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.17 134.45 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 72.239999999999995 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -78.3 178.57 7.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.242 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -80.02 -15.52 57.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 73.319999999999993 109.293 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.485 ' CG ' ' CE1' ' A' ' 11' ' ' PHE . 5.5 m-20 -104.43 10.73 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.010000000000005 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.81 -59.84 3.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 63.240000000000002 111.019 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -44.15 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 74.540000000000006 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD11 ' CD2' ' A' ' 95' ' ' TYR . 8.1 tp -115.05 122.12 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 75.450000000000003 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.0 114.75 27.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 110.977 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.478 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -140.56 159.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 62.439999999999998 109.31 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 52.6 m -143.9 125.69 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.209999999999994 110.368 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 5.5 p90 -107.4 155.63 19.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 75.040000000000006 111.005 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.4 ' OG ' ' OG ' ' A' ' 39' ' ' SER . 14.4 t -151.85 133.28 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 62.43 109.977 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -48.41 -25.9 4.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 72.230000000000004 111.036 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 17.1 pt-20 -91.21 -179.48 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 70.349999999999994 110.306 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 10.8 t-20 -119.6 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 65.019999999999996 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.59 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.0 p -102.82 130.02 49.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 71.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -98.94 4.53 47.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 75.109999999999999 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.556 1.16 . . . . 71.5 111.018 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.53 0.205 . . . . 71.299999999999997 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -83.4 -71.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 75.299999999999997 109.245 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.557 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 84.9 p -133.95 93.92 3.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 64.510000000000005 109.996 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 7' ' ' SER . 2.3 p -81.46 -22.75 37.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 64.019999999999996 110.392 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 3' ' ' SER . 0.7 OUTLIER -41.86 -27.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 74.319999999999993 110.951 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 14.1 tppt? -68.65 -48.65 63.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 109.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' THR . 28.9 t -92.55 -64.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 55.119999999999997 110.011 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' THR . 10.0 tp10 -38.8 -42.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 53.030000000000001 110.267 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -125.76 159.41 61.31 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 75.140000000000001 111.003 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.31 33.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 60.43 110.965 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -81.61 -15.39 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 74.439999999999998 110.938 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -85.79 -16.23 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 71.430000000000007 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -58.26 -42.42 86.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 75.310000000000002 109.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -88.51 -31.46 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 110.305 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -64.97 -24.46 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.329999999999998 109.271 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.7 -52.43 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.049999999999997 109.321 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -54.53 -33.77 60.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 73.109999999999999 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -69.77 -42.7 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.010000000000005 109.983 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -50.33 -33.69 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 110.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -79.31 -52.69 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 74.329999999999998 110.235 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.426 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 15.9 mt -58.37 -21.4 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 71.129999999999995 109.284 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.43 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.109999999999999 109.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.84 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 75.530000000000001 109.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 27.3 tpt180 -99.61 -58.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 72.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 10.8 m-85 -122.78 75.12 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 72.409999999999997 110.982 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 75.230000000000004 110.994 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -104.76 -6.09 20.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 75.530000000000001 109.301 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 71.2 mmt-85 -93.82 -177.9 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 110.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.487 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 23.2 mt -148.51 92.56 4.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 73.040000000000006 109.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.1 Cg_endo -75.06 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 71.519999999999996 110.97 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.474 HG13 ' CE1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -85.67 160.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 64.120000000000005 109.257 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 104' ' ' PHE . 7.7 mm -135.55 92.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 74.329999999999998 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.3 p -94.56 155.33 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 72.310000000000002 108.255 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 108' ' ' THR . 9.6 mt-10 -140.56 120.77 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 72.140000000000001 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -58.42 134.77 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 109.349 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.34 121.92 18.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 74.430000000000007 109.296 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.3 pt-20 -56.77 -42.47 79.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 54.219999999999999 110.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -58.78 -24.52 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 72.140000000000001 109.269 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.24 176.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.450000000000003 109.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -133.01 15.1 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 64.530000000000001 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.4 163.17 55.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 123.25 7.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 75.25 110.959 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.32 170.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 110.284 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 7.9 pt -117.74 -174.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 73.450000000000003 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -77.15 -57.1 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 74.519999999999996 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.61 169.24 22.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.219999999999999 109.328 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -108.77 101.73 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 53.350000000000001 110.268 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -159.07 109.51 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.289 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.694 ' CE1' ' CG1' ' A' ' 63' ' ' VAL . 33.2 m-85 -133.6 93.84 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 74.530000000000001 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 5.8 tp -84.1 98.03 9.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 71.109999999999999 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -110.23 155.17 42.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 71.219999999999999 109.296 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.57 14.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 60.310000000000002 111.058 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . . . -88.71 18.33 4.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 55.200000000000003 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -119.29 -4.16 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.420000000000002 109.325 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.435 ' CD1' HG13 ' A' ' 51' ' ' VAL . 8.3 tt -85.64 158.53 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.099999999999994 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.412 ' N ' HD21 ' A' ' 55' ' ' LEU . 11.6 p -118.61 156.1 29.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 74.299999999999997 110.427 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 50.9 t -43.6 -48.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 65.329999999999998 109.305 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -62.18 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 72.329999999999998 111.03 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.31 -58.76 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 74.450000000000003 110.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' A' ' 64' ' ' ILE . 29.0 t80 -45.59 -53.66 8.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 73.530000000000001 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.9 t -42.92 -35.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 75.109999999999999 109.33 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.4 -42.0 21.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.200000000000003 110.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.694 ' CG1' ' CE1' ' A' ' 49' ' ' TYR . 3.3 t -46.11 -45.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.109999999999999 109.265 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 60' ' ' PHE . 1.9 mp -66.02 -49.94 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 73.519999999999996 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.6 ttm180 -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 74.340000000000003 110.285 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 75.239999999999995 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 2.1 mmp_? -55.77 -30.9 62.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 73.25 110.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.47 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.9 pt -102.99 -12.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.109999999999999 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.7 ptp 41.39 49.59 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 73.129999999999995 110.968 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -70.08 157.19 90.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.530000000000001 109.272 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.52 22.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 64.230000000000004 110.962 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.37 11.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 74.129999999999995 111.022 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.55 -27.8 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 73.409999999999997 110.317 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 177.88 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.540000000000006 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.16 106.58 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 75.329999999999998 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.462 ' CD1' HD11 ' A' ' 68' ' ' ILE . 5.1 tt -108.07 164.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.140000000000001 109.342 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.429 ' CE2' ' ND2' ' A' ' 113' ' ' ASN . 79.6 m-85 -153.63 136.69 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 72.439999999999998 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.474 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.0 mm -93.56 145.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.310000000000002 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 114' ' ' THR . 3.2 m-85 -129.99 133.45 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 110.991 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 85' ' ' PRO . 2.4 p -117.13 132.56 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.409999999999997 109.298 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 1.7 m-80 49.56 48.43 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.239999999999995 109.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.31 29.27 14.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.230000000000004 109.319 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -130.33 -173.5 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.310000000000002 110.4 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -133.74 100.65 13.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.140000000000001 109.293 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.4 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.79 . . . . 75.129999999999995 111.016 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 161.61 38.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 72.030000000000001 110.963 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.99 4.39 34.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.030000000000001 110.366 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.71 -16.71 13.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 64.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.0 144.75 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 70.409999999999997 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tp -95.14 130.7 41.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.25 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 87.6 mmm -58.35 -15.83 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 64.209999999999994 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.3 p -74.13 -49.35 24.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 110.034 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.42 65.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 98' ' ' HIS . 17.4 mm -68.03 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 73.420000000000002 109.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.581 ' CD2' ' CD2' ' A' ' 105' ' ' LEU . 2.3 t80 -58.8 -16.33 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 71.409999999999997 110.98 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -74.89 -36.27 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.450000000000003 110.305 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.82 -0.8 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 64.510000000000005 110.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.497 ' HD1' ' ND2' ' A' ' 81' ' ' ASN . 47.4 m-70 -116.66 19.75 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 75.219999999999999 109.596 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 127.52 35.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 71.239999999999995 109.3 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.34 179.82 4.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.430000000000007 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -65.39 -31.75 73.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.140000000000001 109.284 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.77 -19.2 64.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.129999999999995 109.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.19 -7.27 82.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 75.049999999999997 110.957 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CD1' HG13 ' A' ' 32' ' ' ILE . 2.1 m-85 -97.19 177.81 5.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 72.329999999999998 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.581 ' CD2' ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -106.48 154.9 20.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 72.430000000000007 109.305 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -121.15 103.75 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 75.109999999999999 111.023 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -135.09 163.83 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.109999999999999 109.302 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 79' ' ' PHE . 55.2 m -153.9 118.31 4.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.219999999999999 110.401 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 35' ' ' LYS . 19.7 p90 -101.56 155.14 18.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 75.209999999999994 111.005 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.452 ' O ' ' CG1' ' A' ' 76' ' ' ILE . 4.1 t -154.68 169.74 23.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 60.25 109.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.09 -2.5 90.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.555 1.159 . . . . 74.209999999999994 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -105.99 166.56 10.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 72.409999999999997 110.336 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.429 ' ND2' ' CE2' ' A' ' 77' ' ' PHE . 26.4 t-20 -103.96 54.88 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 2.8 p -108.98 170.88 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 74.010000000000005 110.371 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -91.46 -5.28 54.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 75.129999999999995 110.988 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 71.030000000000001 110.994 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.499 0.19 . . . . 73.519999999999996 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -46.93 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 72.450000000000003 109.322 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -128.13 94.71 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 60.240000000000002 109.965 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' GLU . 3.0 p -54.31 -38.32 65.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 75.549999999999997 110.445 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -49.65 -23.96 1.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 75.430000000000007 111.039 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 74.239999999999995 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -100.35 -45.72 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 74.209999999999994 109.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' THR . 5.8 tp10 -39.72 -47.59 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 74.230000000000004 110.318 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -116.88 159.07 42.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 72.230000000000004 111.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 167.57 26.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 75.040000000000006 110.984 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 102' ' ' ASP . 0.8 OUTLIER -82.2 -38.17 24.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 71.219999999999999 110.982 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -61.88 -15.51 43.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -49.13 23.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 72.129999999999995 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -66.46 -20.49 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 75.120000000000005 110.278 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -84.17 -41.41 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.340000000000003 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.52 84.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 75.420000000000002 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 7.1 pt-20 -64.06 -34.12 77.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.236 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.564 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -84.9 -11.27 55.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.25 110.001 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' LYS . 4.3 mm-40 -79.93 -35.8 37.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 74.510000000000005 110.272 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 1.9 ptp180 -77.81 -43.36 30.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 75.299999999999997 110.325 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 4.5 mt -70.15 -18.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 75.439999999999998 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.44 -44.54 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 109.331 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.67 -42.21 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 75.129999999999995 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.52 -55.02 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 73.129999999999995 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 1.8 m-85 -134.11 83.22 45.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 74.349999999999994 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.13 9.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 75.340000000000003 110.988 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.516 ' N ' HD21 ' A' ' 27' ' ' ASN . 1.7 m-80 -96.93 -5.68 37.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 75.430000000000007 109.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 9.2 mmp_? -89.23 -177.97 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 73.239999999999995 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 53' ' ' ALA . 4.3 mt -147.49 91.48 5.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.239999999999995 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.5 Cg_endo -74.94 86.63 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 74.219999999999999 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.9 t -85.71 145.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.120000000000005 109.341 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG1' ' CD2' ' A' ' 104' ' ' PHE . 1.7 mm -111.95 91.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.340000000000003 109.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -70.52 157.07 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 71.109999999999999 108.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 107' ' ' VAL . 12.8 mp0 -126.13 156.91 39.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 75.230000000000004 110.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 41' ' ' ILE . 4.0 tptm -97.5 132.42 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 73.400000000000006 109.304 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.59 107.91 20.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 75.329999999999998 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 12.4 pt-20 -69.06 -43.65 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 65.510000000000005 110.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 5.5 mmmt -45.53 -31.53 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.450000000000003 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t -72.99 169.55 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 74.140000000000001 109.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.14 32.36 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 75.209999999999994 109.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.561 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -108.59 153.7 42.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 72.129999999999995 109.255 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.54 38.43 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 74.400000000000006 110.958 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -79.2 167.64 20.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 75.239999999999995 110.338 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 6.7 pt -111.06 179.24 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 74.310000000000002 109.333 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -78.29 -52.13 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 74.109999999999999 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -156.62 -174.32 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 70.140000000000001 109.336 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.48 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -120.73 103.95 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 73.310000000000002 110.306 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -158.81 111.18 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 73.209999999999994 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 33' ' ' CYS . 69.6 m-85 -136.75 94.97 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 72.310000000000002 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.423 ' CD1' ' HG3' ' A' ' 28' ' ' ARG . 1.7 tm? -88.56 93.43 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 70.219999999999999 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -111.9 153.7 44.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 72.129999999999995 109.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 71.329999999999998 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . . . -90.25 19.1 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.340000000000003 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -124.49 1.97 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 73.010000000000005 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 56' ' ' THR . 5.5 tt -92.21 155.47 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 74.450000000000003 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 13.4 p -105.1 160.73 14.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 75.540000000000006 110.377 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.6 t -51.16 -43.53 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 75.430000000000007 109.283 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.18 -63.44 2.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 70.239999999999995 110.992 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 9.7 mm100 -44.76 -47.89 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 65.209999999999994 110.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 64' ' ' ILE . 16.3 t80 -59.6 -40.73 88.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 74.510000000000005 111.0 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.444 ' CG2' HG13 ' A' ' 78' ' ' ILE . 14.8 t -60.07 -16.58 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 72.299999999999997 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 111.013 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.18 -38.52 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.559 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.7 mp -69.23 -46.93 76.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 75.420000000000002 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.4 ttp180 -54.3 -18.83 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 72.140000000000001 110.301 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -50.48 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 73.230000000000004 109.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.466 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 3.5 mmp_? -54.05 -27.2 30.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.549999999999997 110.348 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.472 ' O ' ' CG ' ' A' ' 69' ' ' MET . 1.2 pt -108.0 -15.17 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.430000000000007 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.9 ptp 41.35 50.37 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 73.109999999999999 110.973 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.55 161.41 44.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 73.140000000000001 109.247 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.35 40.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 63.009999999999998 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.782 . . . . 63.130000000000003 111.029 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -98.49 -20.57 17.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 72.129999999999995 110.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -84.82 172.34 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 65.109999999999999 109.287 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.25 111.74 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 64.329999999999998 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 68' ' ' ILE . 2.5 tt -103.12 157.2 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 74.319999999999993 109.272 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CE2' ' ND2' ' A' ' 113' ' ' ASN . 57.1 m-85 -137.15 167.51 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.450000000000003 110.976 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.503 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 5.1 mm -123.77 133.89 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 73.439999999999998 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 84' ' ' LEU . 3.8 m-85 -120.97 151.55 39.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.010000000000005 111.016 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.0 OUTLIER -145.01 122.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 63.119999999999997 109.284 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.584 ' ND2' ' HD1' ' A' ' 98' ' ' HIS . 6.9 m-80 60.43 38.5 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 75.439999999999998 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.57 38.23 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 65.030000000000001 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -133.16 -173.72 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.400000000000006 110.374 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 79' ' ' PHE . 1.5 tt -141.9 93.08 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 74.040000000000006 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.92 40.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 74.310000000000002 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.89 30.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 70.430000000000007 110.993 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -80.12 -13.77 59.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 71.420000000000002 110.402 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.43 -28.8 24.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.239999999999995 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -44.33 138.26 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 63.43 109.25 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 tp -88.13 137.75 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 109.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 mmm -67.57 -8.21 32.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.109999999999999 111.012 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -89.4 -40.51 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 109.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.79 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 71.510000000000005 109.274 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.476 HG21 ' CD2' ' A' ' 98' ' ' HIS . 13.1 mm -65.39 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.200000000000003 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 1.6 t80 -59.51 -23.45 62.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 73.549999999999997 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.91 -36.6 84.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 75.349999999999994 110.297 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.8 -0.68 16.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 74.439999999999998 110.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.584 ' HD1' ' ND2' ' A' ' 81' ' ' ASN . 86.4 m-70 -114.01 -7.06 13.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 75.099999999999994 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.83 140.4 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 74.349999999999994 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.428 ' HB2' ' CD1' ' A' ' 106' ' ' TYR . 5.0 t0 -96.92 179.81 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.519999999999996 109.279 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -73.24 -21.79 60.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 73.420000000000002 109.234 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.563 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.0 p30 -90.9 15.12 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 64.519999999999996 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.89 -55.25 3.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 75.349999999999994 110.959 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 18' ' ' SER . 2.0 m-85 -51.31 -175.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 72.129999999999995 111.025 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.7 tp -120.23 159.27 25.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 74.519999999999996 109.303 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -129.07 101.35 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 75.5 111.031 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.503 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -130.43 153.51 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 63.520000000000003 109.36 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.0 m -138.55 132.62 31.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 75.409999999999997 110.431 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.561 ' CE1' HD12 ' A' ' 41' ' ' ILE . 53.3 p90 -101.6 147.41 26.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 110.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.9 m -140.24 143.47 36.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 71.140000000000001 110.029 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.5 -7.87 48.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 54.439999999999998 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 12.1 tp10 -105.97 165.58 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 74.129999999999995 110.286 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.572 ' ND2' ' CE2' ' A' ' 77' ' ' PHE . 34.6 t-20 -101.24 62.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 72.230000000000004 109.299 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.527 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 52.2 p -120.62 -179.42 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 75.219999999999999 110.382 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.409 ' CD2' ' HA ' ' A' ' 83' ' ' THR . 3.2 m-85 -106.41 -2.67 21.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 74.430000000000007 111.02 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 63.009999999999998 110.998 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.519 HH21 HG21 ' A' ' 32' ' ' ILE . 12.3 ttt180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.273 -0.269 . . . . 64.34 110.273 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -58.53 -21.4 52.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 72.25 109.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.48 -60.22 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 54.42 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -46.85 -25.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.43 110.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 t -81.42 -41.31 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 65.23 110.014 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -49.81 -34.91 21.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 72.04 110.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -79.2 -42.98 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.22 110.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.8 mt -63.38 -21.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 44.12 109.34 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -41.23 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.41 109.295 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.72 -28.29 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 70.24 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.3 mmt180 -86.35 -52.17 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 72.42 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 2.3 m-85 -137.49 78.4 38.15 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 73.22 110.996 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 65.23 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.62 14.7 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 61.15 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.517 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.7 mpt_? -107.06 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 63.24 110.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' VAL . 12.4 mt -146.47 90.52 5.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 64.13 109.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -75.01 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 72.21 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 5.7 t -85.78 131.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.04 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.626 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -106.67 93.51 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 64.25 109.262 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.464 ' HG ' ' HD2' ' A' ' 109' ' ' TYR . 6.7 t -80.77 157.32 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 51.02 108.344 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.984 ' O ' HG23 ' A' ' 108' ' ' THR . 23.9 mt-10 -136.41 120.1 17.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 71.25 110.286 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CE ' HG12 ' A' ' 41' ' ' ILE . 2.9 tmtt? -40.49 141.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 72.54 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.972 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -99.01 110.16 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 70.03 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 13.3 pt-20 -55.78 -47.71 76.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.21 110.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 4.6 mmmt -40.56 -57.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 72.34 109.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 p -50.72 176.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 55.41 110.04 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -128.47 15.1 6.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 73.52 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.867 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -74.25 162.02 75.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 74.03 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.403 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.05 130.42 13.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 41.33 111.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.93 170.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 63.21 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.729 HG23 HG23 ' A' ' 68' ' ' ILE . 4.9 pt -110.2 -172.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 54.4 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -88.84 -49.72 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 55.05 109.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -149.29 164.67 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 73.04 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -112.45 101.96 10.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 75.14 110.258 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -158.74 131.88 7.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 75.33 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 64' ' ' ILE . 61.2 m-85 -147.62 106.76 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 73.22 111.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 30' ' ' PRO . 11.1 mt -103.47 93.48 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 65.03 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.457 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.87 156.18 42.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.33 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.07 15.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.507 1.793 . . . . 75.42 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.42 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 73.11 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -120.53 -2.67 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.53 109.306 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 59' ' ' GLN . 5.7 tt -92.58 156.57 17.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.02 109.362 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.627 HG22 ' CD1' ' A' ' 90' ' ' LEU . 11.9 p -113.2 164.86 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 54.42 110.352 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' VAL . 95.5 t -50.49 -41.49 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 74.51 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.444 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.81 -60.84 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 71.2 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.649 ' HB2' HD11 ' A' ' 55' ' ' LEU . 13.4 mt-30 -52.2 -53.1 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 73.25 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 37.4 t80 -47.17 -55.99 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 62.3 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.792 HG22 HG12 ' A' ' 78' ' ' ILE . 19.9 t -45.08 -31.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 64.41 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -80.56 -48.81 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 72.05 111.042 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 t -47.59 -53.56 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 72.23 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 49' ' ' TYR . 1.8 mp -55.18 -45.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 72.31 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' MET . 16.0 ttm180 -52.56 -20.51 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 72.51 110.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 11.0 mmmm -80.3 -47.56 14.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 62.22 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.503 ' HB3' HG21 ' A' ' 44' ' ' ILE . 5.7 mmp_? -57.06 -27.71 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.22 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 70' ' ' LEU . 1.3 pt -107.91 -12.77 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 52.44 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 13.7 ptp 40.56 51.55 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.24 110.977 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.91 HD12 HD12 ' A' ' 68' ' ' ILE . 8.9 mt -64.54 164.37 20.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 63.03 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.29 38.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 52.13 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.91 19.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 64.13 111.021 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -91.36 -18.02 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.35 110.264 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -90.22 176.33 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 71.25 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.06 111.82 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 50.12 109.286 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.603 HD12 ' CD1' ' A' ' 68' ' ' ILE . 7.7 tt -98.44 157.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 70.41 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 113' ' ' ASN . 47.2 m-85 -135.34 146.31 48.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 72.12 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.792 HG12 HG22 ' A' ' 61' ' ' VAL . 9.9 mm -96.42 148.83 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.43 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 1.102 ' CE2' HD12 ' A' ' 84' ' ' LEU . 41.4 m-85 -139.92 141.73 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 73.33 110.954 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.744 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -132.67 133.79 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 72.23 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m120 50.69 43.84 27.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 74.52 109.276 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.7 40.93 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 71.4 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.744 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -135.24 -173.74 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.53 110.425 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.102 HD12 ' CE2' ' A' ' 79' ' ' PHE . 3.4 tt -141.24 93.51 8.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 55.33 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 158.82 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 65.45 111.018 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.789 . . . . 74.12 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.444 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -79.54 -21.39 45.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 61.35 110.373 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.79 -35.01 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 73.43 109.247 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.04 139.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 71.52 109.32 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.627 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.0 tp -90.63 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 73.15 109.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.6 mmm -63.72 -12.8 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.1 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -88.52 -41.08 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 72.02 109.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.49 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 62.53 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.696 HG23 ' ND1' ' A' ' 98' ' ' HIS . 18.3 mm -64.79 -61.28 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 64.12 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.1 t80 -55.85 -24.85 39.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.23 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.79 -40.09 94.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.41 110.334 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.8 -0.74 23.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 70.33 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.696 ' ND1' HG23 ' A' ' 94' ' ' ILE . 45.5 m80 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 75.44 109.583 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -52.73 145.2 12.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 71.2 109.32 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.41 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 1.9 t70 -100.72 180.0 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 73.54 109.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.37 -17.34 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 74.53 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -89.67 -15.05 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 55.21 109.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.6 -55.89 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 53.04 111.037 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.626 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -51.84 177.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 74.42 110.951 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 105' ' ' LEU . 7.7 tp -116.94 157.57 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 71.25 109.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.595 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.79 101.12 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.35 111.026 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -126.49 163.94 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 55.43 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.984 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.1 m -147.42 136.5 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 42.51 110.422 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.867 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.2 p90 -109.8 149.73 29.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 61.4 110.984 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -146.46 140.25 26.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 75.12 109.971 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.01 -16.42 32.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 42.43 110.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -106.25 157.85 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 75.55 110.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 38.8 t-20 -96.44 60.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 74.52 109.278 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.3 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.42 110.405 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.285 -0.265 . . . . 70.45 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -44.4 -44.37 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 73.03 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 18' ' ' SER . . . -64.89 -60.13 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.41 109.315 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 73.52 110.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' ALA . 28.3 t -82.74 -51.54 7.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 62.12 109.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -49.62 -27.09 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 70.44 110.302 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -81.87 -51.58 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.44 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 30' ' ' PRO . 31.9 mt -60.82 -19.16 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 63.22 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.95 -37.02 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 62.42 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.3 -28.17 66.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 71.13 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.554 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.12 -49.13 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 74.24 110.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.1 m-85 -131.88 80.48 65.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.02 110.999 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.18 19.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 62.01 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -100.59 28.1 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 63.21 109.308 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HB3' HD11 ' A' ' 50' ' ' LEU . 62.2 mmt-85 -125.25 -177.92 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 73.44 110.326 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 15.4 mt -147.99 91.22 4.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 64.33 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.0 90.45 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 51.21 111.008 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.631 HG22 ' CB ' ' A' ' 105' ' ' LEU . 2.6 t -88.88 146.78 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 55.4 109.334 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -112.36 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 71.31 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.588 ' SG ' ' CE2' ' A' ' 109' ' ' TYR . 24.2 t -95.45 148.96 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 65.33 108.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 108' ' ' THR . 5.3 mt-10 -137.25 152.73 50.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 62.21 110.325 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 3.6 tmtt? -77.87 135.34 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 65.2 109.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.47 124.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 33.24 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.1 pt-20 -63.23 -47.78 81.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 74.2 110.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 6.5 mmmt -47.23 -41.36 18.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 73.4 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 177.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 73.43 110.001 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.81 22.15 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.04 109.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -91.13 157.31 43.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 71.12 109.326 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 138.06 22.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 75.31 110.973 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.69 169.42 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 72.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.567 HG23 HG23 ' A' ' 68' ' ' ILE . 8.9 pt -112.01 179.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 71.04 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -63.14 -62.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 71.41 109.326 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -152.87 -175.84 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 74.33 109.316 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.701 ' O ' HD13 ' A' ' 32' ' ' ILE . 7.5 mtm-85 -110.4 101.91 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.2 110.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -158.76 104.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 64.12 109.262 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 76.3 m-85 -126.46 93.78 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 73.45 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 28' ' ' ARG . 2.5 tp -95.46 94.82 8.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.15 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -112.56 155.52 43.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 74.21 109.291 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.15 15.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 75.53 110.996 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.3 17.12 6.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 71.44 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -114.11 -11.64 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.13 109.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 59' ' ' GLN . 6.2 tt -85.78 156.56 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.14 109.347 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.474 HG22 HD12 ' A' ' 90' ' ' LEU . 12.0 p -113.69 167.22 10.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 73.42 110.386 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.7 -43.43 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 64.24 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.442 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -41.39 -62.7 1.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 72.25 110.956 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.596 ' HB2' HD11 ' A' ' 55' ' ' LEU . 5.2 mt-30 -45.42 -50.09 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 72.13 110.287 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.613 ' CE2' HD11 ' A' ' 64' ' ' ILE . 7.7 t80 -48.44 -48.01 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.15 110.977 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.806 HG22 HG13 ' A' ' 78' ' ' ILE . 20.0 t -51.87 -32.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 62.01 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.59 ' HD1' HH21 ' A' ' 65' ' ' ARG . 1.9 t80 -81.16 -50.46 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.22 110.982 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 t -46.87 -45.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 50.44 109.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' A' ' 60' ' ' PHE . 2.1 mp -64.78 -55.01 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 74.12 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.59 HH21 ' HD1' ' A' ' 62' ' ' TYR . 20.3 ttp180 -46.46 -24.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.53 110.313 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 64' ' ' ILE . 27.4 mmtp -79.63 -44.49 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 54.22 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.516 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.8 mmt-85 -62.6 -27.09 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 74.5 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.73 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.3 pt -107.83 -8.46 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 72.15 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' ARG . 12.4 ptp 39.61 54.13 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 74.13 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.6 mt -68.7 163.77 51.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 63.43 109.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 158.02 42.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 60.41 110.972 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.16 10.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 72.51 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -99.45 -17.2 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 72.15 110.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -91.69 176.94 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 74.14 109.258 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.22 110.36 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 72.11 109.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.57 HD12 ' CD1' ' A' ' 68' ' ' ILE . 10.5 tt -93.84 141.42 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 72.03 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 85.6 m-85 -109.46 165.87 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 72.34 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.806 HG13 HG22 ' A' ' 61' ' ' VAL . 3.9 mm -122.58 134.87 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 70.3 109.264 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.733 ' CE2' HD13 ' A' ' 84' ' ' LEU . 74.4 m-85 -130.81 131.93 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.21 110.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.634 ' O ' HG22 ' A' ' 83' ' ' THR . 1.5 p -135.23 140.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 63.3 109.267 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 m120 49.54 32.93 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 73.21 109.326 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 64.23 36.87 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 70.24 109.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -137.32 -173.7 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 75.1 110.43 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.733 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -144.8 92.98 5.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 71.23 109.321 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.2 Cg_endo -75.0 169.11 23.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.759 . . . . 75.01 110.989 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 75.04 110.999 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.442 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 1.2 t -84.78 -19.94 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 62.43 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.38 42.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 62.45 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -43.86 139.75 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.35 109.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD12 HG22 ' A' ' 56' ' ' THR . 7.2 tp -89.67 134.46 34.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 74.43 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.77 -15.83 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 53.11 110.945 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.2 p -81.79 -46.4 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.12 110.032 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.15 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 35.41 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.828 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.2 mm -69.02 -61.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 72.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 95' ' ' TYR . 2.2 t80 -59.41 -16.85 25.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 64.33 111.032 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -72.67 -38.82 67.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.52 110.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.58 -0.64 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 72.14 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.828 ' CD2' HG23 ' A' ' 94' ' ' ILE . 70.0 m-70 -108.41 -24.24 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 70.4 109.556 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -40.32 140.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 70.03 109.326 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.33 -179.96 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 64.42 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -72.86 -16.19 61.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 72.5 109.289 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -87.28 -20.51 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 73.04 109.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.17 -70.57 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 71.21 111.026 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 30' ' ' PRO . 1.8 m-85 -47.17 175.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 75.32 111.006 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 98' ' ' HIS . 7.7 tp -109.34 159.82 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 65.41 109.252 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.56 101.81 5.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 73.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.554 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -126.01 156.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 75.14 109.287 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 34' ' ' GLU . 86.8 m -149.88 134.77 17.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.35 110.398 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.612 ' CD2' HG21 ' A' ' 64' ' ' ILE . 2.8 p90 -113.34 157.38 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.31 110.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.7 p -143.38 127.9 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.11 110.04 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -42.64 -27.13 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 54.24 111.012 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -106.41 162.46 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 54.24 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 11.5 t-20 -90.07 62.33 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 60.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.533 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 70.52 110.41 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 104' ' ' PHE . 5.4 ttm105 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.284 -0.265 . . . . 74.35 110.284 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -42.94 -55.1 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 74.35 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.48 -47.48 69.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 63.05 109.312 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -48.21 -47.17 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 65.01 110.265 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -67.13 -44.54 79.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 41.43 110.049 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.93 -27.18 17.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 71.04 110.301 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -79.65 -38.01 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 71.14 110.315 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.737 HG21 ' HG3' ' A' ' 30' ' ' PRO . 27.7 mt -76.51 -22.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 63.24 109.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.07 -25.29 37.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 74.43 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -94.06 -15.55 24.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 71.53 109.334 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.74 -64.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 73.21 110.304 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.8 m-85 -120.44 80.2 29.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 73.33 111.0 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 60.1 110.992 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -95.99 16.12 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 70.31 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -115.54 179.79 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 74.34 110.339 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' VAL . 13.9 mt -150.19 90.35 4.4 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.23 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.737 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 74.43 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 105' ' ' LEU . 3.9 t -91.72 130.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 72.11 109.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 3.5 mm -97.98 92.04 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 72.44 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.2 t -89.31 138.59 31.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.42 108.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 1.3 pt-20 -128.65 141.5 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.02 110.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 109' ' ' TYR . 2.4 tmtt? -76.66 143.1 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 74.32 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.18 134.12 34.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 74.32 109.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.72 -46.48 75.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 65.11 110.36 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.73 -28.17 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 71.23 109.289 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -176.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 51.12 109.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.34 15.95 4.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 63.34 109.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -84.36 154.52 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.23 109.306 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.61 13.4 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 54.23 110.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -63.38 170.89 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 64.43 110.286 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 67' ' ' ARG . 3.1 pt -110.74 -175.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 63.44 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.28 -53.39 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.54 109.301 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -141.77 158.46 43.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 73.52 109.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 34' ' ' GLU . 28.3 mtm105 -107.94 101.89 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 74.33 110.328 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -158.74 124.47 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 63.11 109.283 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 92.9 m-85 -135.0 97.19 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 74.41 110.985 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 9.8 mt -94.32 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 71.53 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.576 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -113.24 155.65 44.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 72.4 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.497 1.788 . . . . 75.14 110.993 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 17.28 6.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 71.13 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -115.65 -9.05 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.42 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD13 ' CG1' ' A' ' 51' ' ' VAL . 6.9 tt -83.65 156.84 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 53.42 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -110.21 160.33 16.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 61.25 110.45 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.8 t -50.09 -50.01 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 73.53 109.295 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -61.09 1.45 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 64.11 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -43.21 -44.65 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 73.15 110.322 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' A' ' 64' ' ' ILE . 4.5 t80 -55.32 -62.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.44 110.995 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.867 HG22 HG12 ' A' ' 78' ' ' ILE . 21.8 t -40.48 -32.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 72.41 109.299 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.84 -48.1 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 71.34 110.99 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' PHE . 2.6 t -45.88 -55.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 74.53 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.745 HD11 ' CE1' ' A' ' 60' ' ' PHE . 2.3 mp -51.2 -52.14 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 72.33 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' MET . 22.7 ttm180 -45.55 -25.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 63.13 110.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -81.68 -42.69 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 75.03 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.632 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.3 mpt_? -60.77 -23.73 65.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.33 110.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.988 HD12 HD22 ' A' ' 70' ' ' LEU . 1.6 pt -116.51 -5.86 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 73.22 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.6 ptp 41.17 49.44 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 71.32 111.028 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.988 HD22 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -68.55 158.82 84.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 75.5 109.342 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.38 22.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 70.33 111.055 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.37 8.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.453 1.764 . . . . 71.34 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.78 -38.2 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 70.12 110.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 3.6 mttt -61.22 177.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.24 109.295 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.64 119.21 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 44.32 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.675 HD11 HD12 ' A' ' 41' ' ' ILE . 2.2 tt -112.36 154.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.44 109.302 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' C ' HD13 ' A' ' 78' ' ' ILE . 58.2 m-85 -140.21 155.1 47.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.35 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.867 HG12 HG22 ' A' ' 61' ' ' VAL . 3.3 mm -110.41 146.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 64.44 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.9 m-85 -137.53 121.59 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 73.34 111.013 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.738 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -114.13 126.73 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 65.33 109.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m120 52.1 54.13 11.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 74.53 109.317 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t0 48.32 44.68 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 71.25 109.294 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.738 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -138.15 -173.63 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 72.32 110.38 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.618 ' N ' HG23 ' A' ' 83' ' ' THR . 0.5 OUTLIER -146.45 92.5 5.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 75.11 109.318 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.05 36.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 52.05 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.72 22.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 60.04 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.4 -22.64 41.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 71.04 110.405 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.64 -34.21 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 60.22 109.273 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -40.54 137.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 70.51 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 90' ' ' LEU . 7.0 tp -89.55 137.29 32.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 54.42 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.7 mmm -63.91 -11.18 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 73.14 110.961 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -89.95 -42.59 11.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 64.24 109.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.13 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 61.11 109.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.664 HG23 ' ND1' ' A' ' 98' ' ' HIS . 16.2 mm -67.21 -61.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.3 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.8 t80 -56.57 -23.62 41.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 64.42 110.999 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -65.81 -41.0 92.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 64.15 110.255 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -105.32 -0.78 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 71.2 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.664 ' ND1' HG23 ' A' ' 94' ' ' ILE . 43.5 m80 -112.03 -10.92 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 61.43 109.562 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.78 144.29 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 71.3 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.411 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 4.2 t70 -104.84 179.89 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 73.11 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -73.97 -15.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 72.14 109.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.84 12.51 31.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.33 109.305 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.6 -57.2 2.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 53.42 110.989 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 14' ' ' ARG . 3.7 m-85 -48.03 175.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 63.14 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.501 ' HB3' HG22 ' A' ' 31' ' ' VAL . 10.2 tp -123.08 122.43 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 72.1 109.299 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.39 118.88 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.54 111.018 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.508 HG13 ' HA ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -142.54 163.33 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 74.12 109.315 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.489 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 6.6 m -141.85 134.39 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 63.24 110.378 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.441 ' CD2' HG21 ' A' ' 64' ' ' ILE . 22.6 p90 -124.63 152.23 43.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 74.22 111.026 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -147.74 169.95 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.03 109.997 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.11 10.25 61.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 61.51 111.021 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -131.93 157.2 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 74.42 110.312 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -95.93 65.07 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.22 109.341 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.578 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 6.9 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 61.44 110.366 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.298 -0.26 . . . . 75.32 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -56.12 -38.28 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 74.43 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -53.04 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 52.11 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.66 -46.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 62.23 110.272 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -62.7 -45.39 92.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 61.45 110.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.9 mm-40 -50.73 -27.37 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 54.54 110.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 12.0 mtp-105 -79.91 -56.3 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 71.42 110.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.591 HG21 ' HG3' ' A' ' 30' ' ' PRO . 9.3 mt -59.72 -19.25 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.4 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.44 -32.05 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.34 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -86.56 -15.1 40.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 65.04 109.286 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.32 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 55.12 110.341 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 3.3 m-85 -127.44 77.68 75.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 62.52 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 73.14 111.019 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -107.37 13.29 27.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.22 109.326 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -109.99 -177.97 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 74.23 110.288 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.561 HD11 ' HA ' ' A' ' 53' ' ' ALA . 4.1 mt -145.17 92.24 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 54.53 109.337 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.1 Cg_endo -74.98 88.8 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 64.33 110.978 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.811 HG22 ' CB ' ' A' ' 105' ' ' LEU . 3.1 t -85.79 149.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 65.3 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.58 HG23 ' HD3' ' A' ' 47' ' ' ARG . 6.7 mm -122.78 92.07 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 74.03 109.313 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.58 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 23.3 t -88.54 150.43 23.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 53.14 108.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.971 ' O ' HG23 ' A' ' 108' ' ' THR . 7.2 mt-10 -136.18 140.73 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 74.12 110.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 1.1 tmtt? -74.11 134.76 42.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 72.33 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -70.08 116.0 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 61.11 109.312 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -54.87 -46.49 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 75.35 110.253 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -56.2 -29.82 61.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 74.45 109.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.592 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -58.18 179.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 74.12 110.031 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -129.08 22.14 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 62.04 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -92.64 154.75 42.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 75.24 109.326 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.6 Cg_endo -74.94 126.5 10.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.505 1.792 . . . . 74.42 110.992 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.38 170.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 71.44 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.794 HG23 HG23 ' A' ' 68' ' ' ILE . 7.5 pt -114.45 170.86 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.21 109.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.91 -61.53 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.41 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -174.95 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 73.54 109.334 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.58 ' HD3' HG23 ' A' ' 32' ' ' ILE . 1.8 ptp85 -110.66 101.88 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 75.14 110.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -158.86 107.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 71.44 109.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 96.7 m-85 -127.77 93.75 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 61.42 111.017 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -93.61 92.31 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.701 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.98 154.61 44.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.23 109.35 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.26 14.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 64.52 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -89.67 18.88 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 62.05 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.55 -0.41 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.15 109.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.701 HD13 HG12 ' A' ' 51' ' ' VAL . 5.9 tt -90.66 156.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.41 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.502 HG22 ' CD1' ' A' ' 90' ' ' LEU . 12.2 p -110.42 161.67 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 52.3 110.405 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 61' ' ' VAL . 87.7 t -50.36 -44.93 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 73.05 109.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -61.45 1.38 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 64.34 111.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.467 ' CB ' HD11 ' A' ' 55' ' ' LEU . 17.3 mt-30 -47.21 -41.68 18.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 73.15 110.317 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.503 ' CE2' HD11 ' A' ' 64' ' ' ILE . 9.5 t80 -59.79 -35.95 75.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 64.13 110.957 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.786 HG12 HH21 ' A' ' 65' ' ' ARG . 4.7 t -70.13 -16.37 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 74.31 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -85.71 -63.27 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 74.33 111.011 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.65 HG23 HD12 ' A' ' 64' ' ' ILE . 6.2 m -44.82 -47.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 53.03 109.304 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.65 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -57.44 -64.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 74.22 109.29 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.786 HH21 HG12 ' A' ' 61' ' ' VAL . 16.3 ttm180 -44.84 -27.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.43 110.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -80.28 -43.68 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.41 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.499 ' HB3' HG21 ' A' ' 44' ' ' ILE . 9.3 mmt-85 -60.39 -26.72 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 61.43 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.794 HG23 HG23 ' A' ' 44' ' ' ILE . 1.4 pt -107.56 -8.99 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.31 109.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 7.5 ptp 40.7 51.15 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 62.44 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.722 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.3 mt -64.63 164.11 22.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.24 109.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.84 42.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 73.01 110.976 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 73.25 111.003 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -100.96 -15.01 17.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 75.31 110.354 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -94.5 179.1 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.51 109.275 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.09 112.56 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 74.32 109.275 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.659 HD12 ' CD1' ' A' ' 68' ' ' ILE . 5.3 tt -97.54 134.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 64.32 109.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 95.3 m-85 -111.82 157.77 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 73.13 110.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.602 HG13 HG22 ' A' ' 61' ' ' VAL . 2.9 mm -113.33 142.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 73.41 109.262 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 84' ' ' LEU . 1.9 m-85 -137.5 127.32 25.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 72.11 111.029 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.715 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -120.13 134.53 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.32 109.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m120 46.18 54.48 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.1 109.269 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 t70 48.85 46.54 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 64.11 109.299 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -140.59 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.23 110.39 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.638 HD12 ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -145.94 91.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 74.23 109.271 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.91 43.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.81 . . . . 71.02 110.992 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -75.0 162.53 36.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 72.02 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -74.15 -20.36 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 73.3 110.379 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.78 -29.34 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 42.05 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.481 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -45.7 137.99 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 54.23 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.502 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.2 tp -88.45 133.22 34.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 73.11 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 76.0 mmm -60.23 -14.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 72.21 110.953 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.7 p -82.0 -42.78 18.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 34.15 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.05 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.41 109.252 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.563 HG23 ' ND1' ' A' ' 98' ' ' HIS . 41.7 mm -60.31 -61.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 71.12 109.354 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.834 ' CD2' HD23 ' A' ' 105' ' ' LEU . 1.2 t80 -55.24 -29.61 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 72.3 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 72.24 110.357 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -110.88 -6.16 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 75.22 110.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.563 ' ND1' HG23 ' A' ' 94' ' ' ILE . 63.5 m80 -115.58 13.91 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 70.31 109.595 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -74.62 139.87 43.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 74.43 109.322 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -99.2 179.61 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.34 109.291 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -63.27 -61.86 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 74.31 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.88 -22.82 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 73.23 109.284 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.5 -20.3 37.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 32.51 111.016 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 32' ' ' ILE . 1.5 m-85 -58.61 170.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 64.3 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.834 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -114.42 134.98 54.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 64.12 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -106.67 105.33 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 73.32 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.482 HG11 ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.65 155.15 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 44.53 109.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.971 HG23 ' O ' ' A' ' 34' ' ' GLU . 56.7 m -155.86 135.64 12.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 73.24 110.413 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.58 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 1.8 p90 -110.12 -176.51 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 70.11 110.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.4 p -170.63 134.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 62.44 110.014 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.79 -20.65 6.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 63.1 110.961 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 113' ' ' ASN . 19.6 tp10 -106.94 160.11 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 74.33 110.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.485 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 24.1 t-20 -88.5 60.61 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 73.41 109.275 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.513 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.7 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 73.43 110.361 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.321 -0.252 . . . . 71.44 110.321 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -59.41 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 70.44 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.41 -53.8 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 64.45 109.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.98 -64.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.5 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -53.69 -32.94 53.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 51.25 109.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.69 -26.76 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 72.34 110.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.8 -56.85 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 71.3 110.286 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 15.2 mt -56.04 -21.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.1 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 26' ' ' PRO . . . -84.68 -40.18 17.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 72.42 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 75.02 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.91 -47.95 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 72.43 110.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 5.7 m-85 -126.33 71.64 71.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.44 110.96 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' CB ' ' O ' ' A' ' 22' ' ' ALA . 18.3 Cg_endo -75.0 -2.47 12.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 70.35 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.78 13.26 35.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 71.52 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.9 mmm-85 -113.97 -177.75 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.14 110.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.52 HG23 ' CD2' ' A' ' 95' ' ' TYR . 7.8 mt -144.62 90.83 6.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 73.5 109.264 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.99 92.65 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 73.23 111.004 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 60' ' ' PHE . 3.6 t -85.66 135.53 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 71.32 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.478 ' O ' HG22 ' A' ' 32' ' ' ILE . 12.3 mm -113.91 92.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 73.51 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.67 155.41 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 63.51 108.246 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.042 ' O ' HG23 ' A' ' 108' ' ' THR . 6.6 mm-40 -131.17 120.5 23.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 73.02 110.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -40.47 137.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 64.24 109.299 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.986 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -103.61 108.97 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 62.13 109.339 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -42.71 -47.06 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 71.32 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -43.51 -44.52 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.41 109.308 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.54 ' OG ' HG23 ' A' ' 41' ' ' ILE . 48.4 t -48.81 169.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.5 109.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -126.93 4.71 6.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 70.23 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.793 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -78.6 163.0 63.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 64.41 109.26 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.25 25.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 71.14 111.02 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.95 164.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 51.2 110.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.718 ' CG2' HG23 ' A' ' 68' ' ' ILE . 22.7 pt -111.18 -172.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 73.14 109.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.465 ' CB ' ' HD3' ' A' ' 46' ' ' LYS . 1.3 m-20 -85.32 -52.38 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 74.31 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.64 173.73 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 74.21 109.303 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.46 102.37 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 64.02 110.321 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -150.26 110.97 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 70.31 109.279 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.497 ' CE1' HG13 ' A' ' 64' ' ' ILE . 49.7 m-85 -132.56 93.83 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 74.23 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.1 tp -98.38 95.02 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 74.43 109.287 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.638 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.36 153.54 44.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.4 109.304 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.35 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 53.34 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -89.45 18.78 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 73.11 109.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -120.15 -3.07 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.51 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.638 HD13 ' CG1' ' A' ' 51' ' ' VAL . 3.9 tt -88.62 155.54 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 75.54 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -104.32 160.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 65.44 110.444 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.545 HG22 ' SD ' ' A' ' 91' ' ' MET . 55.0 t -52.41 -51.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 64.41 109.27 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.96 -52.23 2.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 54.02 111.023 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' HB2' HD11 ' A' ' 55' ' ' LEU . 14.5 mt-30 -50.67 -53.24 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 75.35 110.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.554 ' CE2' HG11 ' A' ' 31' ' ' VAL . 28.0 t80 -45.69 -58.49 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 71.53 111.028 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.764 HG22 HG12 ' A' ' 78' ' ' ILE . 39.3 t -43.76 -31.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.14 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 2.2 t80 -79.1 -43.72 23.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.32 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -49.19 -54.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 51.34 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.512 HD11 ' CE1' ' A' ' 60' ' ' PHE . 1.8 mp -53.51 -48.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 73.33 109.321 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' MET . 9.8 ttp180 -48.51 -23.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 75.55 110.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -77.57 -43.26 32.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 72.44 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -61.96 -29.31 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 71.44 110.292 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.954 HD12 HD22 ' A' ' 70' ' ' LEU . 1.6 pt -107.79 -3.19 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 65.01 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.1 ptp 40.46 49.15 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 71.22 111.017 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -69.64 156.12 92.26 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.54 109.299 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.55 1.816 . . . . 72.13 111.024 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.1 9.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 72.12 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -95.79 -36.53 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 73.52 110.299 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.83 174.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 64.21 109.317 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.24 107.4 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 55.11 109.333 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.754 HD13 HD11 ' A' ' 68' ' ' ILE . 1.3 tt -96.6 156.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 62.14 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -137.33 136.11 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 75.05 110.936 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.764 HG12 HG22 ' A' ' 61' ' ' VAL . 4.9 mm -99.65 141.57 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 74.3 109.245 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 89.6 m-85 -127.24 111.46 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 71.31 110.979 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.734 ' O ' HG22 ' A' ' 83' ' ' THR . 30.1 t -94.81 121.45 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.54 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.5 m120 41.4 50.44 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 65.1 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.99 43.33 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 65.45 109.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -142.0 154.98 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 72.45 110.437 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -126.33 92.64 44.99 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 73.4 109.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 171.36 18.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 71.43 111.048 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.97 158.89 42.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 64.22 111.013 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -74.14 -11.67 60.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 60.5 110.411 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.64 19.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 65.02 109.334 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -46.24 138.27 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.23 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.6 tp -89.28 133.48 34.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 71.34 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.545 ' SD ' HG22 ' A' ' 57' ' ' VAL . 82.8 mmm -62.59 -12.09 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 71.24 110.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.569 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 52.5 p -82.23 -43.69 17.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 64.4 110.018 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.72 42.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 72.04 109.284 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.591 HG23 ' ND1' ' A' ' 98' ' ' HIS . 17.4 mm -67.91 -61.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 73.34 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.52 ' CD2' HG23 ' A' ' 29' ' ' ILE . 4.4 t80 -57.64 -23.69 52.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 73.43 111.035 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.11 -40.14 94.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.35 110.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.27 -0.71 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 71.22 110.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.591 ' ND1' HG23 ' A' ' 94' ' ' ILE . 42.2 m80 -112.81 -7.89 13.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.44 109.587 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -53.6 135.82 39.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 61.5 109.318 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.464 ' CG ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -80.31 -179.99 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 64.44 109.347 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -82.05 -3.29 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.22 109.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -110.24 6.31 22.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 64.42 109.323 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.57 -64.4 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 41.24 111.018 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -45.95 172.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 75.53 111.003 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.516 HD22 ' HD2' ' A' ' 95' ' ' TYR . 8.7 tp -115.61 125.28 52.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.11 109.279 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.464 ' CD1' ' CG ' ' A' ' 100' ' ' ASP . 7.5 m-85 -94.3 113.8 25.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 43.42 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 78' ' ' ILE . 1.5 p -143.87 164.55 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 64.25 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 1.042 HG23 ' O ' ' A' ' 34' ' ' GLU . 85.9 m -141.01 133.29 28.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 65.04 110.434 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.793 ' HE1' HD11 ' A' ' 41' ' ' ILE . 4.2 p90 -109.64 144.03 38.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 63.44 110.955 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 39' ' ' SER . 79.9 p -147.03 143.86 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 71.22 110.021 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.423 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -66.17 -16.83 65.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 51.1 111.008 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.448 ' HG3' HG23 ' A' ' 114' ' ' THR . 15.2 tp10 -108.53 160.27 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 73.23 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 13.2 t-20 -90.34 64.8 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 73.23 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.573 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.9 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 74.15 110.344 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CD ' ' OH ' ' A' ' 106' ' ' TYR . 4.7 ptp85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.266 -0.272 . . . . 74.22 110.266 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 71.14 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -71.53 -58.53 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.15 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -39.02 -56.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.21 110.328 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 52.3 p -50.32 -42.73 53.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.31 109.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ALA . 5.0 mm-40 -63.0 -26.75 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 35.51 110.252 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -78.97 -53.59 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 51.45 110.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 23.6 mt -56.86 -18.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 63.02 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.19 -39.99 18.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 64.15 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.25 -34.77 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 51.3 109.261 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.47 -51.41 5.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 74.23 110.266 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.3 m-85 -125.83 71.95 68.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 72.14 111.018 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.5 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.9 -5.32 16.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 72.35 111.02 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -93.94 -5.52 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 74.1 109.281 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.1 mpt_? -96.49 -177.85 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 64.51 110.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.4 mt -146.02 91.64 5.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 44.14 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 74.25 111.026 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.805 HG22 ' CB ' ' A' ' 105' ' ' LEU . 14.0 t -104.0 139.33 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 60.54 109.322 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -103.02 92.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.44 109.323 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.4 t -81.29 126.19 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.01 108.328 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.918 ' O ' HG23 ' A' ' 108' ' ' THR . 26.6 mt-10 -118.89 118.81 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 54.03 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.489 ' CG ' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -63.34 150.45 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 73.04 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.75 115.66 28.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 60.12 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -49.82 -50.14 46.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 63.12 110.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -41.81 -32.33 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 51.33 109.273 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.519 ' OG ' HG23 ' A' ' 41' ' ' ILE . 6.6 t -59.41 -179.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 54.42 109.984 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -125.89 4.88 7.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 73.14 109.258 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.569 HD12 HD11 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -76.88 154.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 64.34 109.282 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 121.83 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 72.45 111.044 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -57.29 170.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.03 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.678 HG21 ' HB3' ' A' ' 67' ' ' ARG . 4.1 pt -109.21 170.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 70.23 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.92 -56.55 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.05 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -138.37 158.16 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 72.54 109.319 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.2 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 74.33 110.344 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -158.8 123.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 73.44 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 37.4 m-85 -136.5 104.59 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.14 111.018 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.6 tp -99.71 95.6 7.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 65.4 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.56 153.7 43.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 74.34 109.299 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.51 14.38 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.476 1.777 . . . . 75.53 111.05 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.84 18.47 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 54.2 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.36 -1.8 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 74.24 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 59' ' ' GLN . 6.4 tt -94.48 156.15 16.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 62.53 109.251 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.714 HG22 ' CD1' ' A' ' 90' ' ' LEU . 14.7 p -115.27 167.91 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 71.23 110.394 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.14 -43.68 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.23 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.473 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.12 -61.1 1.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 62.21 111.022 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.615 ' HB2' HD11 ' A' ' 55' ' ' LEU . 10.5 mt-30 -52.13 -44.28 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 70.11 110.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.85 -48.97 59.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.31 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.512 HG22 ' CG1' ' A' ' 78' ' ' ILE . 21.2 t -60.18 -21.93 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 44.34 109.266 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -82.71 -35.56 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 72.31 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 5.6 t -60.69 -57.9 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 63.42 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.677 HG22 HD11 ' A' ' 68' ' ' ILE . 2.9 mp -49.84 -55.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 61.32 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.5 ttp85 -42.01 -32.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 73.31 110.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -81.17 -43.47 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 73.3 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -60.24 -26.27 66.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.2 110.266 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.153 HD12 HD22 ' A' ' 70' ' ' LEU . 1.1 pt -113.79 -4.63 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 65.03 109.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.8 ptp 40.69 51.56 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 63.12 110.968 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.153 HD22 HD12 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -75.92 154.15 84.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 71.5 109.268 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.85 21.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 74.13 110.968 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.02 9.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 62.34 111.03 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -95.62 -30.2 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 74.02 110.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 168.25 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 75.45 109.351 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.71 107.27 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 73.22 109.314 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.607 HD13 HD11 ' A' ' 68' ' ' ILE . 3.4 tt -109.99 149.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 55.22 109.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -142.66 141.98 31.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 75.14 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.512 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.0 mm -97.64 156.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 62.15 109.277 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 1.064 ' CE2' HD12 ' A' ' 84' ' ' LEU . 43.5 m-85 -145.27 146.86 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.02 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.746 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -137.25 129.62 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 71.05 109.284 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' A' ' 98' ' ' HIS . 6.9 m120 54.82 40.65 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 52.11 109.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 63.17 39.09 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.41 109.248 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -133.85 -173.73 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 74.13 110.372 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.064 HD12 ' CE2' ' A' ' 79' ' ' PHE . 2.5 tt -140.53 95.47 8.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 73.2 109.34 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.449 ' HG3' HG13 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.99 158.64 42.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 64.22 110.98 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.41 14.56 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 71.01 111.014 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.473 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -84.68 -19.46 32.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 71.45 110.423 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.95 -34.12 44.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 51.52 109.274 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.75 139.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 73.31 109.274 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.714 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.4 tp -91.84 138.62 31.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 71.41 109.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.8 mmm -64.27 -12.6 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 74.04 110.978 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -89.0 -42.54 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.22 110.011 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.47 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 61.22 109.241 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.638 HG23 ' ND1' ' A' ' 98' ' ' HIS . 13.7 mm -66.82 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 71.21 109.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.645 ' HB2' HD22 ' A' ' 105' ' ' LEU . 2.4 t80 -56.5 -25.6 51.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 70.31 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.84 -41.29 99.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 62.32 110.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -106.21 -0.72 24.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 70.55 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.638 ' ND1' HG23 ' A' ' 94' ' ' ILE . 46.1 m80 -113.69 -1.42 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 61.14 109.599 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.85 137.89 58.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 74.14 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.32 -179.98 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 74.51 109.301 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.6 -31.39 71.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 74.41 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -27.09 58.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.22 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.6 -48.77 0.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 71.44 110.989 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.625 ' CD1' HD13 ' A' ' 32' ' ' ILE . 3.6 m-85 -50.7 177.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 71.51 111.021 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.805 ' CB ' HG22 ' A' ' 31' ' ' VAL . 8.2 tp -120.98 125.84 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 73.24 109.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.407 ' OH ' ' CD ' ' A' ' 14' ' ' ARG . 25.0 m-85 -98.8 99.63 10.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 73.42 111.015 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -122.88 163.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 60.13 109.29 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 34' ' ' GLU . 45.1 m -150.08 142.13 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 74.42 110.372 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 35' ' ' LYS . 13.9 p90 -129.97 170.87 13.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 73.23 111.002 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.4 t -164.37 170.27 16.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 71.25 110.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.402 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -78.63 3.0 65.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 72.4 110.998 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -122.36 156.57 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 75.1 110.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -91.54 46.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 74.12 109.304 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.577 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 3.0 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 71.03 110.424 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.288 -0.264 . . . . 74.32 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -77.46 -29.61 52.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 74.54 109.322 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -76.72 -62.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 71.32 109.316 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -39.83 -41.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 73.03 110.348 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ILE . 2.8 p -59.87 -49.49 77.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.43 109.985 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.5 mm-40 -45.74 -34.02 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 72.5 110.253 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -78.61 -35.82 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 70.53 110.251 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' SER . 19.3 mt -71.14 -19.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 75.34 109.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 -35.31 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.42 109.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -71.0 -43.4 68.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 63.41 109.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 25' ' ' PHE . 13.6 tpt180 -78.05 -55.14 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 71.53 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.617 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -118.49 78.95 15.22 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 71.31 111.002 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.435 1.755 . . . . 62.32 110.98 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -126.51 46.86 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.11 109.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 28.6 mmt-85 -132.38 175.9 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 73.01 110.251 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.568 HD11 ' HA ' ' A' ' 53' ' ' ALA . 2.3 mt -142.13 90.61 8.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 74.53 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HB3' HD21 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 51.31 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 2.6 t -85.78 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 72.01 109.3 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.619 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -114.38 91.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 51.52 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.735 ' HB2' HG13 ' A' ' 107' ' ' VAL . 49.7 t -95.1 157.17 16.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 72.13 108.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.925 ' O ' HG23 ' A' ' 108' ' ' THR . 82.2 mt-10 -141.82 119.11 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 54.52 110.288 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.62 ' HG2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -48.32 143.31 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 73.33 109.3 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -76.34 127.49 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.23 109.279 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.23 -27.37 67.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 71.04 110.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -73.66 -30.11 62.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 75.32 109.244 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 1.3 t -55.04 174.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 75.44 110.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.95 15.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 73.31 109.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' HG2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -89.59 155.47 48.3 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 74.44 109.329 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.27 25.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 65.25 111.054 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -60.62 160.42 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 71.11 110.298 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.697 ' CG2' HG23 ' A' ' 68' ' ' ILE . 9.3 pt -98.4 -174.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 64.41 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -54.24 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 75.21 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.623 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -149.76 -177.56 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 71.55 109.316 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.44 101.68 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 75.5 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 13.0 ttpt -158.99 115.25 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 74.45 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 98.4 m-85 -128.84 93.75 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 72.34 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 30' ' ' PRO . 11.6 mt -98.41 92.79 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 54.41 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.574 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.38 154.34 43.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 65.13 109.29 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.16 14.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.748 . . . . 62.11 111.002 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -89.91 19.12 5.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 62.24 109.257 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -120.83 -2.25 9.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 62.44 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD13 HG12 ' A' ' 51' ' ' VAL . 6.9 tt -89.18 156.7 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.4 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.472 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 14.0 p -111.71 162.76 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 74.54 110.419 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.62 -46.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 74.23 109.253 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -63.19 1.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 61.42 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -43.85 -52.31 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 64.01 110.287 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 13.6 t80 -44.69 -60.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 65.34 110.997 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.838 HG22 HG12 ' A' ' 78' ' ' ILE . 62.1 t -40.56 -33.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 53.13 109.285 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -82.47 -42.98 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.13 111.021 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.8 t -48.69 -44.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 71.21 109.277 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 64' ' ' ILE . 1.8 mp -65.21 -52.38 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 71.52 109.29 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 3.2 tmm_? -46.47 -24.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 73.33 110.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -79.02 -44.17 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 71.21 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HB3' HG21 ' A' ' 44' ' ' ILE . 4.6 mmp_? -58.41 -29.77 66.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 62.32 110.313 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.937 HD12 HD22 ' A' ' 70' ' ' LEU . 3.1 pt -107.57 -9.6 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 73.25 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 18.3 ptp 40.99 49.33 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 74.21 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.937 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -65.64 164.25 27.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 72.53 109.342 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.72 26.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 75.14 111.007 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 70.35 110.996 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.52 -39.37 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.41 110.314 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 16.5 mttp -62.64 176.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.4 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.62 106.43 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 42.53 109.268 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.582 HD12 ' CD1' ' A' ' 68' ' ' ILE . 5.9 tt -102.58 148.99 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 73.12 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.54 151.16 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 62.44 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.838 HG12 HG22 ' A' ' 61' ' ' VAL . 2.8 mm -107.81 139.76 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 74.13 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.654 ' CE2' HD13 ' A' ' 84' ' ' LEU . 2.9 m-85 -132.03 124.81 30.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.53 111.065 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.651 ' O ' HG22 ' A' ' 83' ' ' THR . 1.4 p -106.26 131.94 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 65.41 109.266 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 m120 45.6 62.61 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 62.2 109.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 42.34 44.86 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 71.1 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.7 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -144.63 -173.68 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.01 110.396 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.7 ' N ' HG23 ' A' ' 83' ' ' THR . 1.1 tp -148.32 97.66 3.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 43.32 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.25 111.012 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.97 163.46 35.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 61.23 110.981 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 t -79.72 -5.92 56.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 63.42 110.362 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.74 -31.33 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 55.04 109.289 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -41.52 139.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.33 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.4 tp -89.41 132.46 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 70.33 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -61.58 -15.72 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 72.13 110.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.514 ' HA ' HD13 ' A' ' 29' ' ' ILE . 78.4 p -85.37 -39.72 17.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 54.24 110.035 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.76 62.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 74.41 109.286 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.562 HG23 ' CD2' ' A' ' 98' ' ' HIS . 16.9 mm -68.77 -61.37 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 73.34 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.2 t80 -55.95 -23.72 33.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 71.14 111.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.09 -41.46 90.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 64.41 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -103.53 -4.08 24.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.4 110.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.562 ' CD2' HG23 ' A' ' 94' ' ' ILE . 50.2 m-70 -108.21 -11.81 15.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 62.3 109.622 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -47.94 143.44 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.31 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.71 179.97 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.32 109.266 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -74.64 -28.12 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 65.3 109.328 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -28.37 46.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 60.22 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.67 -63.65 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 74.14 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.619 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.8 m-85 -48.25 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 73.41 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.454 HD22 ' HB2' ' A' ' 95' ' ' TYR . 9.5 tp -115.22 163.03 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 64.32 109.265 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -127.7 114.65 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 71.24 111.001 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.735 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -139.25 158.98 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 64.31 109.315 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.925 HG23 ' O ' ' A' ' 34' ' ' GLU . 24.2 m -148.65 135.79 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.32 110.37 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.575 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 3.8 p90 -124.74 168.92 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 74.01 111.053 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.0 p -156.91 160.24 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 70.13 110.003 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.13 -8.1 47.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 72.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -116.1 156.47 26.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.786 . . . . 71.4 110.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -89.25 45.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 70.24 109.304 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.32 110.423 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.324 -0.25 . . . . 74.0 110.324 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -40.26 -31.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 63.34 109.322 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -62.83 -57.99 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 45.23 109.276 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -40.88 -34.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.03 110.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.86 -48.29 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 53.35 110.015 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 35.2 mm-40 -50.31 -37.4 36.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 73.13 110.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -78.66 -38.01 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 55.54 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.2 mt -68.7 -21.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 73.12 109.33 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.36 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 71.41 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.08 -18.75 49.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 71.13 109.322 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HG2' ' CZ ' ' A' ' 25' ' ' PHE . 15.8 tpt180 -108.23 -61.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 73.02 110.306 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.55 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 2.3 m-85 -124.7 75.77 64.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.41 111.005 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 63.55 111.041 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -102.77 12.12 36.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 63.45 109.295 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.4 mpt_? -104.0 178.09 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 74.3 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.0 mt -147.78 91.07 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 61.23 109.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.99 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 73.44 111.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.622 HG22 ' HB3' ' A' ' 105' ' ' LEU . 3.8 t -85.72 138.59 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 74.14 109.307 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -111.48 96.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 74.13 109.31 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.73 152.17 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 62.14 108.322 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.016 ' O ' HG23 ' A' ' 108' ' ' THR . 9.7 mp0 -131.26 120.1 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.5 110.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.582 ' H ' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -40.29 139.32 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 73.54 109.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.061 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -102.51 110.89 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 51.52 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.83 -42.11 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.41 110.258 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -48.28 -36.78 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.02 109.322 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.34 148.11 51.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 62.52 109.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.77 13.67 33.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 44.44 109.238 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.88 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.8 OUTLIER -82.66 162.75 54.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 60.23 109.273 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 144.15 29.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.439 1.758 . . . . 74.22 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.92 170.92 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 62.1 110.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.732 HG23 HG23 ' A' ' 68' ' ' ILE . 3.4 pt -114.24 172.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 75.44 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -49.75 15.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 65.45 109.299 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -150.75 158.16 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.31 109.313 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.584 HH21 ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -115.83 104.38 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.45 110.267 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -158.67 114.37 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.22 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.8 m-85 -134.12 116.07 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 64.22 110.998 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 4.6 mt -104.49 97.63 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 74.32 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.825 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 153.46 43.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.41 109.251 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.38 14.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 63.35 110.972 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -88.9 18.13 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 63.24 109.262 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -124.53 1.96 8.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.54 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 51' ' ' VAL . 2.4 tt -95.23 155.2 16.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 63.21 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -101.44 160.41 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 65.14 110.383 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.455 HG22 ' SD ' ' A' ' 91' ' ' MET . 84.3 t -52.57 -45.59 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 65.41 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.38 -56.47 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 74.24 111.021 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.641 ' HB2' HD11 ' A' ' 55' ' ' LEU . 4.7 mt-30 -48.56 -40.17 26.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 64.51 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CZ ' ' CG1' ' A' ' 31' ' ' VAL . 3.5 t80 -64.18 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.02 110.982 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.716 HG22 ' CG1' ' A' ' 78' ' ' ILE . 16.6 t -74.31 -16.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 62.22 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.06 -63.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 72.43 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 64' ' ' ILE . 27.0 m -43.43 -55.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 71.24 109.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.536 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -48.99 -55.16 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 62.3 109.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.2 tpp85 -45.27 -27.94 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 73.24 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.72 -42.67 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 60.04 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.517 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.4 mmt-85 -60.74 -25.34 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 53.42 110.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.76 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.5 pt -112.64 -6.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 62.45 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.8 ptp 41.46 48.95 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 72.12 110.976 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.76 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.1 mt -65.4 164.19 26.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 50.1 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.28 42.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 61.11 110.979 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.21 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 72.02 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -101.61 -15.06 17.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 62.12 110.302 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -93.88 177.13 6.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 72.4 109.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.51 120.85 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 72.03 109.275 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.2 tt -95.54 143.89 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 71.12 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -116.63 147.92 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 63.51 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.716 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.8 mm -108.57 135.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 72.35 109.29 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.722 ' CD2' HD12 ' A' ' 84' ' ' LEU . 3.1 m-85 -126.92 124.75 40.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 72.42 111.019 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -119.39 136.85 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.42 109.289 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 m120 44.71 53.97 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.33 109.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 48.81 45.64 22.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.12 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -138.64 -173.62 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.43 110.392 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.722 HD12 ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -143.31 91.4 6.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 64.31 109.27 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.13 43.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.79 . . . . 75.22 111.024 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.98 159.99 40.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 62.21 111.056 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -75.04 -8.2 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 71.21 110.434 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.53 -24.45 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 72.2 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.55 137.3 15.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 73.53 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -86.16 136.47 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 72.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.455 ' SD ' HG22 ' A' ' 57' ' ' VAL . 85.4 mmm -65.95 -9.2 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 75.25 111.024 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.591 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 60.7 p -88.14 -41.63 12.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 65.3 110.017 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.76 -33.22 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 71.53 109.257 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.636 HD11 ' HB1' ' A' ' 89' ' ' ALA . 13.8 mm -66.67 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.44 109.283 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.649 ' HB2' HD22 ' A' ' 105' ' ' LEU . 1.9 t80 -59.58 -25.51 64.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 72.43 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -63.03 -37.06 85.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 65.31 110.267 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -108.16 -7.69 15.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 64.1 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.556 ' CB ' HD11 ' A' ' 105' ' ' LEU . 44.3 m80 -106.7 3.25 26.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 74.42 109.582 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -71.08 130.99 42.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 65.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -100.52 -179.98 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 73.31 109.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -56.45 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 72.12 109.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -40.48 -48.04 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 73.54 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -37.39 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 72.02 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -67.32 170.59 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 64.4 111.031 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 95' ' ' TYR . 7.2 tp -107.96 126.12 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 75.12 109.273 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -96.92 108.61 21.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 73.51 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -136.84 163.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 53.1 109.327 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 1.061 HG22 ' HB2' ' A' ' 36' ' ' ALA . 29.5 m -144.59 134.74 24.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 74.24 110.415 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.88 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.6 p90 -105.07 146.92 28.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.44 111.033 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.7 p -151.74 122.6 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 72.31 109.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -44.52 -32.97 3.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 64.11 111.001 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -92.88 163.36 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 63.4 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -90.71 45.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 65.45 109.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.4 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.35 110.386 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.449 ' NH1' ' OH ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.345 -0.243 . . . . 75.11 110.345 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 14' ' ' ARG . 16.8 tttp -81.55 -32.14 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 70.25 109.304 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.47 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 63.01 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -53.94 49.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 75.53 110.34 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -54.09 -32.4 54.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 70.31 110.035 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 72.32 110.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' ASP . 65.9 mtp180 -78.62 -59.94 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 72.33 110.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.64 HD13 HD21 ' A' ' 50' ' ' LEU . 11.5 mt -51.42 -22.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 71.33 109.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.74 -34.2 21.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 72.23 109.247 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 6.1 t70 -72.87 -29.75 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.23 109.257 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.6 -52.3 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 64.54 110.259 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.5 m-85 -129.55 79.52 73.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 72.21 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -0.31 9.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 75.23 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -102.63 18.72 20.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 61.32 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -119.13 179.15 4.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.31 110.325 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' VAL . 4.0 mt -144.29 93.37 5.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 71.22 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.544 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 92.77 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 61.22 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 105' ' ' LEU . 43.4 t -89.98 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 62.33 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 47' ' ' ARG . 5.9 mm -116.46 91.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 61.51 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.1 t -70.24 157.33 37.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 52.21 108.269 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.825 ' O ' HG23 ' A' ' 108' ' ' THR . 29.3 mm-40 -151.81 124.55 8.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 73.35 110.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.92 138.25 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 74.14 109.253 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.34 118.07 17.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 70.21 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.15 -40.92 67.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 61.23 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -55.62 -49.36 73.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 70.12 109.247 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -48.72 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 64.11 109.992 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -131.85 24.13 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 63.33 109.311 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.928 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -80.92 162.93 58.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 50.14 109.285 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.672 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 70.12 110.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 171.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 71.13 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.622 HG23 HG23 ' A' ' 68' ' ' ILE . 3.9 pt -117.39 175.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 50.12 109.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.14 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.24 109.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -153.5 -168.58 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 71.43 109.342 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 5.3 ptt180 -114.93 101.4 8.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 61.41 110.269 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -159.36 106.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.1 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -142.29 100.95 3.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.44 111.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.64 HD21 HD13 ' A' ' 21' ' ' ILE . 11.9 mt -78.78 92.22 4.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 72.31 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.1 HG13 HD22 ' A' ' 55' ' ' LEU . 3.8 t -90.21 126.65 56.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 74.41 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.0 173.02 15.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.439 1.758 . . . . 74.3 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.57 7.86 18.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.44 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -110.95 -20.04 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 75.02 109.266 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.1 HD22 HG13 ' A' ' 51' ' ' VAL . 2.0 tt -77.97 155.24 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 75.25 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 55' ' ' LEU . 11.2 p -115.53 173.19 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 75.5 110.425 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 61' ' ' VAL . 77.4 t -57.54 -53.56 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 52.24 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.34 -62.19 1.9 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 64.23 110.968 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -45.66 -44.76 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 71.04 110.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.613 ' CE1' HG21 ' A' ' 51' ' ' VAL . 4.7 t80 -56.71 -35.24 68.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 71.34 110.987 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.84 HG22 HG13 ' A' ' 78' ' ' ILE . 3.2 t -71.78 -16.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 74.51 109.354 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.14 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 72.33 111.058 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 64' ' ' ILE . 27.7 m -44.29 -54.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 75.22 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.531 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -48.24 -57.95 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.12 109.285 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.471 HH21 HG22 ' A' ' 76' ' ' ILE . 13.5 ttm180 -42.5 -27.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 75.44 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -78.44 -47.45 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 74.51 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.506 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -57.14 -26.87 61.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.45 110.299 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.961 HD12 HD12 ' A' ' 70' ' ' LEU . 1.5 pt -107.16 -13.26 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 73.23 109.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.474 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.4 ptp 41.4 49.28 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.13 110.966 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.961 HD12 HD12 ' A' ' 68' ' ' ILE . 9.0 mt -64.66 164.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 71.03 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.84 41.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 72.3 110.969 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.91 11.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 73.51 111.002 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -99.16 -13.21 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 53.14 110.325 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -96.85 165.98 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.1 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.46 106.19 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 31.24 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.695 HD12 ' CD1' ' A' ' 68' ' ' ILE . 7.0 tt -91.14 143.86 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 61.55 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 109' ' ' TYR . 91.4 m-85 -118.47 162.74 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.23 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.84 HG13 HG22 ' A' ' 61' ' ' VAL . 11.2 mm -119.16 128.07 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 73.13 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.835 ' CE2' HD13 ' A' ' 84' ' ' LEU . 79.8 m-85 -120.24 135.73 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 61.34 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 83' ' ' THR . 1.6 p -133.84 138.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 74.12 109.351 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 51.78 29.3 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 71.13 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 67.99 34.75 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 73.54 109.332 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -135.11 -173.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.32 110.439 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.835 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -144.68 93.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 63.12 109.322 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.44 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.0 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 73.14 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.94 170.49 20.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 73.31 111.045 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.02 -19.79 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 62.52 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.89 -27.61 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.21 109.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -42.25 127.9 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 72.22 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -78.24 127.49 32.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 72.02 109.29 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.568 ' HG3' HG11 ' A' ' 51' ' ' VAL . 87.5 mmm -55.89 -17.06 5.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.41 111.043 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.1 p -77.05 -46.8 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 73.01 109.962 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -26.92 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 61.34 109.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.792 HD11 ' HB1' ' A' ' 89' ' ' ALA . 22.6 mm -70.9 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 74.42 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.502 ' HB2' HD22 ' A' ' 105' ' ' LEU . 41.2 t80 -60.31 -17.34 42.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 63.41 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.75 -38.82 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 73.32 110.271 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -103.03 -3.0 26.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 71.43 110.357 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.779 ' CD2' HG23 ' A' ' 94' ' ' ILE . 60.9 m-70 -105.81 -31.15 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 74.5 109.601 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -40.4 135.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.21 109.271 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -103.08 179.94 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 74.11 109.308 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -66.73 -16.72 64.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 60.14 109.29 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.21 -17.79 36.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.22 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.94 -58.16 1.23 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 53.35 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.481 ' CD1' HG12 ' A' ' 32' ' ' ILE . 2.3 m-85 -49.37 175.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 64.53 110.962 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.598 ' HB3' HG22 ' A' ' 31' ' ' VAL . 8.3 tp -119.46 127.1 52.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 62.22 109.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 23.3 m-85 -98.87 118.59 35.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 70.55 111.025 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -142.66 154.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.34 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 34' ' ' GLU . 5.1 m -150.48 135.94 18.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 72.33 110.412 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.928 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.6 p90 -109.64 173.09 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 71.42 111.002 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 112' ' ' GLU . 65.7 p -160.42 124.12 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 54.43 109.978 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.509 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -41.12 -27.82 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 64.11 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 110' ' ' SER . 10.4 tt0 -113.91 157.02 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 71.12 110.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.418 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 5.3 t-20 -85.38 63.29 8.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 65.25 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 71.33 110.427 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.284 -0.265 . . . . 75.24 110.284 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -27.96 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 74.32 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -77.58 -63.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 75.44 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -43.15 -38.23 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.14 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 p -64.62 -42.82 95.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 71.34 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' ALA . 29.0 mm-40 -53.36 -28.1 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 71.43 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -78.9 -39.57 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 54.22 110.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 30' ' ' PRO . 11.9 mt -76.59 -19.64 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 72.33 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.45 -28.37 31.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 64.25 109.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.02 -15.46 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 71.42 109.308 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 19.9 tpt180 -97.31 -62.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.24 110.263 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 3.9 m-85 -124.15 76.87 60.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 72.51 110.975 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.03 9.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 71.31 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -101.48 -6.4 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 73.4 109.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 16.2 mmt180 -92.86 -177.83 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 55.05 110.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.593 HD11 ' HA ' ' A' ' 53' ' ' ALA . 5.0 mt -145.55 93.14 5.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.11 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.629 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.97 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 75.21 111.028 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.496 ' CG1' ' CZ ' ' A' ' 60' ' ' PHE . 25.6 t -85.7 135.57 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 65.22 109.353 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.605 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.2 mm -111.18 91.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 73.53 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -72.22 157.34 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 32.1 108.306 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.854 ' O ' HG23 ' A' ' 108' ' ' THR . 20.0 mt-10 -136.44 118.64 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.22 110.315 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 39' ' ' SER . 1.4 tmtt? -47.89 141.06 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 61.4 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.846 ' HB2' ' CG2' ' A' ' 108' ' ' THR . . . -101.25 117.02 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 53.4 109.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.42 -53.79 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 71.42 110.34 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -44.21 -40.22 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 71.23 109.331 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 2.3 t -49.01 158.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 43.11 110.038 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.54 14.16 21.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 71.24 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.818 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -93.46 161.47 30.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 71.2 109.32 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.94 35.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.44 1.758 . . . . 71.23 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.42 169.96 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 73.12 110.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 68' ' ' ILE . 4.6 pt -113.17 173.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 71.13 109.316 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -73.98 -51.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 64.44 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 179.78 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 55.52 109.322 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' O ' HD13 ' A' ' 32' ' ' ILE . 3.2 ptp85 -129.76 101.48 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.31 110.259 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' C ' ' CD ' ' A' ' 48' ' ' LYS . 1.9 tmtt? -153.01 132.98 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 74.1 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 33' ' ' CYS . 50.9 m-85 -150.89 94.44 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 63.34 111.031 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -91.46 92.37 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 61.2 109.349 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.918 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.15 153.78 43.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 75.3 109.341 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.65 14.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 61.03 110.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -88.42 17.31 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 74.13 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -124.53 1.93 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 74.14 109.364 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.918 HD13 HG12 ' A' ' 51' ' ' VAL . 3.9 tt -93.95 155.41 17.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 75.33 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -103.94 161.43 13.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 63.15 110.432 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.625 HG22 ' SD ' ' A' ' 91' ' ' MET . 91.8 t -53.11 -41.95 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 54.15 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.27 -59.21 2.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 61.25 111.008 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.591 ' CB ' HD11 ' A' ' 55' ' ' LEU . 6.5 mt-30 -49.52 -32.63 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 73.33 110.288 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.529 ' CE1' ' CB ' ' A' ' 49' ' ' TYR . 4.0 t80 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 64.12 111.003 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.7 HG22 ' CG1' ' A' ' 78' ' ' ILE . 18.5 t -71.93 -16.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 71.14 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -63.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 72.45 110.999 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.573 HG23 HD12 ' A' ' 64' ' ' ILE . 6.9 m -45.19 -49.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 71.1 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.573 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -55.03 -64.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.25 109.313 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.464 ' N ' HG22 ' A' ' 64' ' ' ILE . 36.8 ttp180 -41.2 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 73.3 110.285 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -78.83 -49.08 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 75.32 109.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.0 mmt-85 -49.22 -22.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 63.35 110.253 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.03 HD12 HD22 ' A' ' 70' ' ' LEU . 1.2 pt -106.88 -23.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 72.3 109.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER 73.68 29.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.21 110.996 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.03 HD22 HD12 ' A' ' 68' ' ' ILE . 1.8 mp -64.29 149.79 93.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 60.12 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 172.54 16.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 73.11 111.051 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.77 . . . . 62.2 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 74' ' ' LYS . 9.9 pt-20 -95.07 -35.28 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.45 110.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -58.07 168.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 72.34 109.317 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.19 105.97 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 72.33 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.59 ' CD1' HD11 ' A' ' 68' ' ' ILE . 2.8 tt -104.9 132.44 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 72.55 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 81.1 m-85 -117.32 139.54 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.01 111.012 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.7 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.9 mm -89.19 142.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.24 109.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 1.08 ' CE2' HD12 ' A' ' 84' ' ' LEU . 76.5 m-85 -135.0 133.4 39.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 72.25 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.74 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -134.43 140.94 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 53.45 109.262 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.485 ' OD1' ' HD2' ' A' ' 98' ' ' HIS . 4.3 m120 41.93 53.59 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 72.3 109.293 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 50.34 45.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 74.45 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -139.69 -173.63 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 54.55 110.427 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.08 HD12 ' CE2' ' A' ' 79' ' ' PHE . 4.3 tt -143.77 93.64 6.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.21 109.323 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.66 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 75.51 110.99 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.98 168.13 25.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 52.25 110.998 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -80.83 -13.99 58.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 75.55 110.345 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.01 -26.9 23.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 43.2 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.457 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -47.07 139.37 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 41.42 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.4 tp -89.06 131.85 35.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 63.2 109.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.625 ' SD ' HG22 ' A' ' 57' ' ' VAL . 73.1 mmm -62.65 -12.3 22.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 51.21 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.413 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 22.8 t -84.07 -41.57 17.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 70.32 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.72 -36.36 57.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 61.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.64 HG23 ' ND1' ' A' ' 98' ' ' HIS . 15.2 mm -65.76 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 74.53 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.51 ' CD2' HG23 ' A' ' 29' ' ' ILE . 3.0 t80 -57.95 -23.92 55.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 73.43 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.1 -37.3 87.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.13 110.343 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -110.18 -0.71 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 75.24 110.321 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.64 ' ND1' HG23 ' A' ' 94' ' ' ILE . 44.0 m80 -112.97 -9.55 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 72.01 109.562 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -50.23 143.6 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 64.33 109.262 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 2.9 t70 -98.86 179.98 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 71.11 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -77.14 -16.37 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 54.13 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.86 -14.89 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.33 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.48 -59.56 0.36 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 75.02 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.605 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -49.27 177.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 73.33 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.547 HD11 ' CB ' ' A' ' 98' ' ' HIS . 7.8 tp -116.44 156.5 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 74.32 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.595 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.05 105.36 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 75.55 110.995 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.49 HG21 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -135.63 162.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 61.12 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 34' ' ' GLU . 4.0 m -145.38 137.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 53.23 110.404 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.818 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.9 p90 -106.14 148.12 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.35 110.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 1.7 t -145.37 134.35 22.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 74.01 109.95 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.37 -14.28 33.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 52.31 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -110.83 163.46 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 62.13 110.29 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.424 ' OD1' HD13 ' A' ' 84' ' ' LEU . 10.7 t30 -97.43 73.83 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 52.53 109.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.42 110.367 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.277 -0.268 . . . . 73.24 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -44.53 -53.44 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 74.13 109.3 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.27 -57.76 7.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 54.34 109.359 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -42.49 -29.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 65.5 110.342 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -89.14 -40.93 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 54.35 110.003 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ALA . 17.3 mm-40 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 75.53 110.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -80.66 -51.62 8.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 73.41 110.321 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.456 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 19.0 mt -64.01 -18.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.11 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.1 -38.66 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 55.32 109.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.58 -33.14 62.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.2 109.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -81.15 -40.37 24.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 72.51 110.292 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 5.2 m-85 -146.0 81.31 9.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 71.42 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.07 9.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 52.51 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -106.96 17.39 23.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 74.24 109.32 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.3 mmt85 -114.02 -177.8 3.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 74.34 110.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.826 HG23 ' CD2' ' A' ' 95' ' ' TYR . 34.9 mt -147.26 90.9 5.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 74.13 109.329 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.0 97.09 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 74.13 110.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.634 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 3.3 t -85.68 136.18 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 74.43 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.631 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 4.7 mm -113.92 92.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.02 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HG ' ' HA ' ' A' ' 108' ' ' THR . 7.0 t -87.74 157.35 19.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 71.2 108.309 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.974 ' O ' HG23 ' A' ' 108' ' ' THR . 21.5 mp0 -138.88 118.53 13.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 61.42 110.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HZ2' ' HE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -41.04 144.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 72.31 109.313 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.851 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -102.65 109.18 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 64.32 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.8 pt-20 -43.46 -49.44 7.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 71.13 110.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.26 -40.56 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 54.44 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.429 ' OG ' HG23 ' A' ' 41' ' ' ILE . 7.8 t -49.3 161.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 74.22 109.982 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -121.42 13.39 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 73.1 109.265 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.801 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -90.98 163.64 28.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 64.33 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 133.21 16.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 70.14 110.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.05 170.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.54 110.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 68' ' ' ILE . 3.5 pt -109.08 -172.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 70.23 109.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -79.25 -56.26 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 75.34 109.355 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.54 177.65 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 53.33 109.314 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -111.44 102.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 73.45 110.305 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -158.79 111.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 73.23 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' HG13 ' A' ' 64' ' ' ILE . 53.4 m-85 -135.52 96.21 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.24 110.973 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.7 tp -98.56 94.06 6.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 55.41 109.316 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.681 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.65 158.06 37.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 64.54 109.313 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.23 14.86 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 72.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 17.59 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 73.53 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -8.55 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 65.42 109.296 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.681 HD13 ' CG1' ' A' ' 51' ' ' VAL . 7.6 tt -81.22 157.9 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 52.44 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.577 HG22 HD12 ' A' ' 90' ' ' LEU . 16.6 p -118.3 152.0 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 61.24 110.399 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 61' ' ' VAL . 93.6 t -40.46 -47.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 75.32 109.311 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.22 -54.32 2.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 61.01 110.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 13.7 mt-30 -58.08 -53.4 58.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 72.42 110.289 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.634 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 59.6 t80 -46.66 -54.94 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.14 110.99 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.861 HG22 HG13 ' A' ' 78' ' ' ILE . 19.1 t -50.55 -28.47 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 52.1 109.288 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 1.4 t80 -80.69 -60.43 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 63.14 111.022 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 t -40.9 -50.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 72.31 109.316 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -54.05 -52.62 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 71.11 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' MET . 18.6 ttm180 -48.64 -23.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 73.43 110.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -74.12 -43.64 56.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 61.42 109.326 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 17.0 mmt180 -60.82 -18.71 57.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 70.3 110.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.946 HD12 HD22 ' A' ' 70' ' ' LEU . 3.0 pt -113.74 -11.77 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 72.5 109.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.0 ptp 40.96 48.47 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 71.25 111.003 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.946 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -70.41 155.61 93.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 52.13 109.297 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.23 23.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 64.33 111.012 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.58 10.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 72.25 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.21 -29.27 14.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 74.43 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 173.72 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 72.01 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.0 106.24 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 44.11 109.315 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.0 tt -107.67 161.16 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 35.25 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 76' ' ' ILE . 55.2 m-85 -151.26 148.0 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 74.11 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.861 HG13 HG22 ' A' ' 61' ' ' VAL . 3.1 mm -108.17 137.6 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 34.3 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.769 ' CE2' HD13 ' A' ' 84' ' ' LEU . 67.6 m-85 -127.24 122.54 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 60.12 111.009 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.622 ' O ' HG22 ' A' ' 83' ' ' THR . 1.5 p -111.23 133.44 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.04 109.275 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 44.5 61.22 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 64.54 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 43.12 41.09 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 61.32 109.332 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.695 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -141.68 -173.76 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 73.51 110.373 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.769 HD13 ' CE2' ' A' ' 79' ' ' PHE . 5.1 tp -138.21 100.34 8.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 74.14 109.309 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 156.53 43.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 75.12 111.017 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.01 160.33 40.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 71.32 110.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -2.48 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.03 110.396 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.73 -26.83 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 71.14 109.295 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -50.69 137.36 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 45.53 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.577 HD12 HG22 ' A' ' 56' ' ' THR . 6.5 tp -88.48 130.14 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 70.33 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.2 mmm -57.08 -16.44 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 53.41 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 p -74.84 -50.01 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 53.34 109.935 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 71.55 109.28 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.485 HD11 ' HB1' ' A' ' 89' ' ' ALA . 20.5 mm -71.68 -57.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 65.2 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.826 ' CD2' HG23 ' A' ' 29' ' ' ILE . 2.2 t80 -60.35 -18.06 47.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 73.55 111.055 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -77.03 -33.51 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 65.54 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -109.08 -0.85 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.3 110.347 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.553 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 50.2 m-70 -122.98 26.92 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 74.42 109.537 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 135.59 34.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.23 109.305 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 179.28 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 64.41 109.342 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -78.21 -0.52 28.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.15 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 -3.71 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.23 109.285 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.12 -1.38 85.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.155 . . . . 43.3 111.03 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.631 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -103.78 -179.22 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.761 . . . . 64.54 110.997 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.822 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.5 OUTLIER -110.72 156.16 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 54.23 109.281 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.628 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -128.26 105.74 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 72.1 111.003 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.588 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -132.95 160.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 75.24 109.277 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.974 HG23 ' O ' ' A' ' 34' ' ' GLU . 19.2 m -145.09 125.45 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 73.53 110.41 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.801 ' HE1' HD11 ' A' ' 41' ' ' ILE . 6.3 p90 -109.09 141.37 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 75.35 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 4.5 m -140.57 157.43 45.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 55.51 110.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -77.37 2.06 63.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 50.21 110.981 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -125.57 157.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 71.12 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.62 68.2 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 75.5 109.285 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 71.04 110.402 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.322 -0.251 . . . . 74.02 110.322 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' SER . 21.6 ttpt -61.51 -60.52 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 73.44 109.31 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -47.81 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 72.41 109.268 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -48.86 -40.65 30.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 72.11 110.307 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 1.4 t -74.37 -42.12 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 53.01 109.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.43 -26.71 8.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 71.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -82.03 -54.53 5.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 62.33 110.344 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.444 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 28.8 mt -60.28 -19.58 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 75.53 109.248 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.34 -42.88 15.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 55.11 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.16 -40.42 81.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 75.14 109.247 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -85.39 -50.56 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 63.11 110.344 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.7 m-85 -126.15 74.05 72.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 70.22 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.5 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 74.14 111.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.99 8.79 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 75.21 109.272 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.0 mpt_? -104.23 -178.0 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 63.42 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 95' ' ' TYR . 1.7 mt -142.95 90.35 7.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 73.12 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.02 91.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 54.33 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.868 HG22 ' CB ' ' A' ' 105' ' ' LEU . 2.7 t -85.61 153.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 64.33 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -128.24 92.03 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 74.43 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.737 ' HB2' HG13 ' A' ' 107' ' ' VAL . 35.7 t -92.81 154.43 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 71.2 108.252 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.881 ' O ' HG23 ' A' ' 108' ' ' THR . 2.5 mp0 -140.97 118.68 11.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 64.34 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.6 136.65 50.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 71.15 109.337 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.14 123.23 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.31 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -57.0 -43.94 82.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.04 110.252 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -54.7 -47.36 73.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 75.35 109.34 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 p -39.64 157.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.1 109.997 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -107.83 28.9 7.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 33.41 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.618 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -99.63 160.2 28.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 64.13 109.303 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 74.11 111.018 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.64 159.73 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 75.42 110.291 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.572 HG21 ' HB3' ' A' ' 67' ' ' ARG . 14.3 pt -103.03 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.34 109.267 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.15 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.34 109.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 -167.91 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 72.42 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.686 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -118.64 101.6 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 71.34 110.254 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -153.42 123.98 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.52 109.33 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 21.8 m-85 -137.97 104.57 5.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 72.35 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -106.96 92.11 3.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 75.24 109.322 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.726 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -116.12 154.45 48.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 70.21 109.276 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 73.35 110.979 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -88.29 17.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.41 109.289 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.02 -3.03 10.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.3 109.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.726 HD13 HG12 ' A' ' 51' ' ' VAL . 6.3 tt -89.79 152.84 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 73.4 109.267 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -113.57 164.21 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 64.32 110.357 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 61' ' ' VAL . 95.7 t -48.42 -44.0 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.52 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.01 -56.08 2.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 72.43 111.011 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.589 ' HB2' HD11 ' A' ' 55' ' ' LEU . 3.8 mm100 -55.45 -51.17 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 72.11 110.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.1 t80 -48.93 -58.78 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.01 110.994 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.7 HG22 ' CG1' ' A' ' 78' ' ' ILE . 35.6 t -44.03 -30.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 72.52 109.325 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -80.29 -45.9 17.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.42 110.993 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.11 -45.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 52.25 109.307 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 60' ' ' PHE . 4.4 mp -61.03 -55.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.45 109.298 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -43.83 -26.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.02 110.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -82.74 -44.17 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 74.51 109.265 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.572 ' HB3' HG21 ' A' ' 44' ' ' ILE . 7.1 mmt-85 -58.66 -29.89 66.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 74.34 110.254 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.049 HD12 HD22 ' A' ' 70' ' ' LEU . 1.4 pt -108.37 -8.64 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 72.31 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 11.7 ptp 41.75 47.12 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 74.15 111.019 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.049 HD22 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -69.98 155.8 92.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 62.12 109.286 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.06 19.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 51.31 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 70.13 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.29 -40.8 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 74.32 110.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 74.25 109.326 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 111' ' ' GLY . . . -153.8 106.12 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 53.5 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.652 HD12 ' CD1' ' A' ' 68' ' ' ILE . 4.6 tt -110.26 161.41 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 71.02 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -151.02 145.65 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 72.14 111.035 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 84' ' ' LEU . 2.5 mm -101.66 139.21 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 50.41 109.277 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.832 ' CE2' HD13 ' A' ' 84' ' ' LEU . 69.5 m-85 -131.04 120.55 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.21 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.573 HG12 HG22 ' A' ' 83' ' ' THR . 1.3 p -111.24 130.15 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 63.41 109.322 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 m120 46.68 65.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.33 109.259 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 40.27 37.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 74.34 109.278 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -138.29 179.82 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.33 110.444 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.832 HD13 ' CE2' ' A' ' 79' ' ' PHE . 2.6 tp -136.7 99.63 10.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 73.22 109.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.431 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.96 161.74 38.36 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.439 1.758 . . . . 74.03 111.05 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.06 165.49 31.12 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.799 . . . . 74.11 110.978 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 3.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.24 110.344 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.2 -28.35 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 74.23 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . . . -44.06 126.97 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 72.12 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.05 127.24 32.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 71.25 109.298 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.2 mmm -56.5 -16.72 6.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 64.44 110.997 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 p -75.09 -47.87 26.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 72.45 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.57 61.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 73.51 109.281 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.493 HG23 ' CD2' ' A' ' 98' ' ' HIS . 17.6 mm -67.53 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 71.13 109.287 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -56.74 -19.68 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 60.44 111.023 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.84 -40.27 75.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 75.41 110.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -107.73 -0.67 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 74.43 110.314 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.578 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 89.9 m-70 -116.97 20.66 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 71.43 109.579 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -94.57 135.73 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 64.52 109.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -96.08 179.96 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 75.32 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.28 -15.69 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 73.43 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.83 -16.55 33.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 73.44 109.321 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.66 -51.8 1.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 55.13 111.006 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.7 m-85 -49.56 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 73.21 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.868 ' CB ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -113.27 157.84 21.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 73.14 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.23 102.83 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 72.15 110.992 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.737 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -124.72 159.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 75.43 109.323 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 34' ' ' GLU . 39.0 m -154.98 114.63 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 72.32 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.618 ' HE1' HD11 ' A' ' 41' ' ' ILE . 5.5 p90 -101.57 -173.64 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 73.22 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -174.74 161.93 3.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.23 110.024 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 75' ' ' ALA . . . -75.37 -0.24 61.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 74.22 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -124.08 156.95 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 64.35 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -87.76 63.67 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.3 109.318 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.531 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 5.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 65.35 110.434 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.306 -0.257 . . . . 73.45 110.306 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -46.67 -33.73 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 71.34 109.251 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.23 -60.14 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 43.45 109.289 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.23 -32.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 63.14 110.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 t -79.33 -52.25 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 65.23 109.965 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.63 -31.83 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 75.21 110.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -80.23 -44.76 19.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 73.15 110.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.541 HG23 HD21 ' A' ' 50' ' ' LEU . 29.5 mt -60.63 -24.9 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 63.31 109.278 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.8 -37.8 29.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 61.03 109.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.73 -46.7 88.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 74.23 109.268 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -80.43 -43.88 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 65.21 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.6 m-85 -132.6 78.41 67.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 72.14 110.977 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 0.01 9.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 74.32 110.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -108.22 17.39 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 73.11 109.321 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 24.6 mmt180 -112.93 -177.9 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 64.53 110.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.836 HG23 ' CD2' ' A' ' 95' ' ' TYR . 15.5 mt -149.06 93.55 4.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.34 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.02 97.57 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.515 1.797 . . . . 63.13 110.989 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.902 HG22 ' HB3' ' A' ' 105' ' ' LEU . 2.8 t -94.92 126.73 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 52.11 109.283 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.592 HG23 ' HD3' ' A' ' 47' ' ' ARG . 2.6 mm -98.3 91.8 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 73.25 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.648 ' SG ' HG23 ' A' ' 107' ' ' VAL . 49.9 t -94.53 157.41 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 72.23 108.321 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.594 ' HG3' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -132.81 170.86 14.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.14 110.274 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 2.1 tmtt? -100.15 134.13 43.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.15 109.33 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.809 ' HB3' ' HB3' ' A' ' 39' ' ' SER . . . -64.61 111.39 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.12 109.294 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.17 -36.33 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.32 110.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -68.4 -38.63 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 64.4 109.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.809 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 6.6 p -48.36 175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 61.41 110.029 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -122.85 21.95 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 72.21 109.306 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -87.98 154.58 52.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 74.31 109.278 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.706 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.95 135.07 18.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 55.32 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -55.36 163.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 45.22 110.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.811 ' CG2' HG23 ' A' ' 68' ' ' ILE . 27.6 pt -114.58 166.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 75.31 109.279 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -47.65 -58.37 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 64.43 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.57 -167.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 70.51 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HD3' HG23 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -119.23 101.46 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 65.53 110.279 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -159.27 102.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.31 109.326 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 97.2 m-85 -124.24 93.75 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 75.33 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD21 HG23 ' A' ' 21' ' ' ILE . 4.8 tp -95.63 96.79 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 71.11 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.789 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.65 153.66 44.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 74.04 109.342 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 64.14 110.985 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.596 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -89.28 18.52 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 54.52 109.324 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -124.44 1.76 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 72.4 109.326 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.789 HD13 HG12 ' A' ' 51' ' ' VAL . 4.0 tt -93.72 155.75 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 74.44 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -105.29 154.87 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.4 110.41 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 60' ' ' PHE . 73.1 t -47.54 -44.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 71.03 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' VAL . . . -40.61 -58.8 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 52.11 111.017 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.526 ' CB ' HD11 ' A' ' 55' ' ' LEU . 23.7 mt-30 -45.44 -37.6 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 72.21 110.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 64' ' ' ILE . 10.2 t80 -63.64 -36.38 83.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 64.44 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' GLY . 11.1 t -68.63 -16.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 72.04 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -86.72 -63.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.15 111.006 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG23 HD12 ' A' ' 64' ' ' ILE . 6.3 m -44.8 -47.85 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 73.23 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -56.53 -64.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 64.42 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 64' ' ' ILE . 18.6 ttm180 -40.62 -28.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 75.24 110.268 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -79.76 -49.19 12.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 73.32 109.271 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.497 ' O ' HG22 ' A' ' 44' ' ' ILE . 4.6 mmp_? -50.15 -21.82 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 72.14 110.259 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.032 HD12 HD22 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -106.58 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 50.42 109.299 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 72.2 31.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 72.51 110.965 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.032 HD22 HD12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -64.32 152.72 88.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 62.42 109.29 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 73.2 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 64.32 110.981 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.32 -29.63 13.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 65.42 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 4.2 mttp -69.73 170.42 10.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 72.53 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.67 106.13 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 73.12 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 41' ' ' ILE . 6.5 tt -102.66 130.82 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 63.44 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 67.5 m-85 -110.61 138.63 46.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 73.11 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.509 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.7 mm -94.24 141.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 73.42 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.631 ' CE2' HD13 ' A' ' 84' ' ' LEU . 38.4 m-85 -129.18 129.71 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.14 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.77 ' O ' HG22 ' A' ' 83' ' ' THR . 1.3 p -129.34 128.82 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.15 109.307 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.8 m120 58.42 37.45 25.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 72.41 109.286 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 59.95 34.28 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.43 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.97 -173.79 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 73.44 110.387 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.631 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -147.08 94.8 4.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.43 109.298 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.451 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 164.04 34.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.773 . . . . 63.53 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.86 40.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 63.34 110.976 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -17.33 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 73.11 110.397 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.17 -26.58 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 34.31 109.267 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.45 133.98 19.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 74.52 109.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -86.07 135.64 33.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 64.41 109.302 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.9 mmm -62.93 -11.71 20.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.04 110.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.596 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 53.9 p -84.28 -44.45 13.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 64.33 109.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.3 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 64.14 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.877 HG23 ' CD2' ' A' ' 98' ' ' HIS . 19.3 mm -65.51 -61.36 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 64.24 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.836 ' CD2' HG23 ' A' ' 29' ' ' ILE . 4.1 t80 -54.92 -22.1 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 75.33 110.996 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.63 -36.38 76.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 74.31 110.307 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -109.01 -0.77 19.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 50.42 110.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.877 ' CD2' HG23 ' A' ' 94' ' ' ILE . 42.8 m-70 -109.53 -21.47 12.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 72.53 109.603 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -44.65 142.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 75.12 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.12 179.75 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 75.03 109.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -68.16 -17.97 64.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 70.21 109.303 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 104' ' ' PHE . 3.7 p-10 -90.71 -14.77 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 62.3 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -54.02 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 75.34 110.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -51.64 170.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 75.42 110.982 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.902 ' HB3' HG22 ' A' ' 31' ' ' VAL . 5.9 tp -115.08 128.34 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 75.31 109.32 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -101.7 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 52.43 110.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.648 HG23 ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -144.04 165.31 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 72.43 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 34' ' ' GLU . 5.3 m -155.58 133.21 11.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.01 110.401 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 35' ' ' LYS . 2.2 p90 -107.61 -179.91 4.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 70.22 110.938 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.5 p -169.96 131.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 72.21 110.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.48 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -47.26 -23.51 1.88 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 64.1 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -104.67 157.74 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 74.14 110.328 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -94.72 70.18 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 61.34 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 71.23 110.408 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.323 -0.251 . . . . 62.12 110.323 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -61.56 -42.39 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 74.34 109.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -53.22 -61.76 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.24 109.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.98 -52.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 62.23 110.287 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -51.42 -45.92 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 74.01 110.029 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.9 mt-10 -55.68 -26.82 46.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 62.34 110.256 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -79.96 -34.04 39.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 75.31 110.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.824 HG21 ' HG3' ' A' ' 30' ' ' PRO . 29.2 mt -77.21 -27.63 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 72.41 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.94 -22.07 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 63.45 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -94.01 -18.04 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.1 109.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -105.19 -64.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 74.55 110.302 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.3 m-85 -121.83 76.05 38.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 75.41 111.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 75.43 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -101.34 12.59 37.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 63.52 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 50' ' ' LEU . 6.4 mmm180 -112.15 -177.86 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 71.12 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 95' ' ' TYR . 45.8 mt -147.0 90.55 5.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 74.32 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.824 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 102.38 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 71.54 111.02 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.681 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -87.48 154.57 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 74.44 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.4 mm -133.1 92.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 63.03 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 14.2 p -89.0 157.42 18.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 61.34 108.326 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 108' ' ' THR . 31.6 mt-10 -136.45 119.97 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.03 110.304 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HZ2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -40.24 139.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 72.12 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.569 ' HB3' ' OG ' ' A' ' 39' ' ' SER . . . -98.36 109.47 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 65.03 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -47.57 -33.69 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 70.22 110.314 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -57.5 -42.94 83.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 63.4 109.272 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.569 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -56.63 167.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.43 109.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -124.56 13.61 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 73.13 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.555 HD11 ' HZ2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -79.34 161.73 66.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 72.43 109.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.65 19.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 75.05 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.6 161.59 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 74.32 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.79 ' CG2' HG23 ' A' ' 68' ' ' ILE . 29.8 pt -109.81 -172.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 63.34 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -80.15 -55.85 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 74.23 109.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.487 ' HD3' HH21 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -158.88 160.95 36.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 72.11 109.329 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.589 ' HG3' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -105.69 101.85 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 72.1 110.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -158.78 110.72 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 71.32 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.653 ' HB2' HG12 ' A' ' 31' ' ' VAL . 49.6 m-85 -136.47 123.9 22.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 74.12 110.965 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 30' ' ' PRO . 5.7 mt -109.47 101.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 75.12 109.305 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.853 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.58 152.5 42.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 65.34 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.23 14.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 65.13 111.025 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 92' ' ' SER . . . -89.16 17.77 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 73.25 109.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -124.54 1.96 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.1 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.853 HD13 HG12 ' A' ' 51' ' ' VAL . 4.0 tt -92.28 154.1 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 63.14 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.7 p -100.96 160.81 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 74.54 110.396 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.593 HG22 ' SD ' ' A' ' 91' ' ' MET . 63.9 t -55.91 -52.42 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 65.43 109.279 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.68 -42.91 2.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 74.32 110.983 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -57.31 -43.23 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 64.44 110.268 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.681 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 20.5 t80 -61.22 -58.85 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.22 111.0 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 78' ' ' ILE . 21.8 t -40.43 -29.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.53 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' PHE . 7.8 t80 -77.7 -48.32 17.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 62.21 110.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.912 HG12 HD12 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -46.01 -45.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 65.02 109.345 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.912 HD12 HG12 ' A' ' 63' ' ' VAL . 1.4 mp -63.92 -51.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 71.54 109.246 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.9 ttp180 -46.04 -24.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 44.1 110.354 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -50.95 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 64.55 109.282 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.487 HH21 ' HD3' ' A' ' 46' ' ' LYS . 3.9 mmt-85 -54.17 -28.13 38.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 71.34 110.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.925 HD12 HD22 ' A' ' 70' ' ' LEU . 1.3 pt -107.07 -14.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 62.24 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.5 ptp 42.44 47.19 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 73.34 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.925 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -64.47 164.76 17.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 64.13 109.328 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.39 27.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 74.22 110.961 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.812 . . . . 75.51 111.027 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.48 -36.42 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 62.42 110.337 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.37 173.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 53.13 109.281 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.84 108.43 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 73.33 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.705 HD13 HD11 ' A' ' 68' ' ' ILE . 3.5 tt -99.37 159.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 75.41 109.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -148.51 137.87 21.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 75.31 110.992 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 61' ' ' VAL . 15.8 mm -93.65 152.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 55.34 109.279 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 114' ' ' THR . 4.5 m-85 -136.71 140.22 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 64.41 111.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 83' ' ' THR . 1.1 m -126.6 123.8 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 50.14 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m120 59.12 41.5 20.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 72.32 109.29 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.22 30.9 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.51 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.546 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -128.63 176.42 7.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 64.33 110.399 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.546 ' N ' HG23 ' A' ' 83' ' ' THR . 0.6 OUTLIER -133.19 95.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 64.22 109.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.75 28.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.541 1.811 . . . . 72.54 111.027 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.0 157.27 42.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 53.41 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.17 -14.29 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 73.05 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.96 -26.69 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 53.43 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.17 136.07 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.34 109.336 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.3 tp -86.3 132.89 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 64.43 109.317 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.593 ' SD ' HG22 ' A' ' 57' ' ' VAL . 86.3 mmm -61.29 -13.06 16.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 70.52 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.453 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 55.0 p -81.13 -45.9 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.14 110.015 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.26 -31.78 58.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 62.43 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.558 HD11 ' HB1' ' A' ' 89' ' ' ALA . 13.4 mm -67.6 -60.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.14 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.604 ' CD2' HG23 ' A' ' 29' ' ' ILE . 6.4 t80 -61.05 -22.08 64.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 62.44 110.979 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.18 -34.86 77.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 71.53 110.305 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.5 -0.71 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 74.05 110.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.528 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 37.1 m80 -114.08 -12.19 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 53.01 109.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -45.11 142.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.55 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.401 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 3.0 t70 -96.86 179.66 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 72.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -76.91 -12.95 60.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 71.3 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.5 p30 -103.32 14.24 31.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 63.33 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.31 -61.89 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 71.31 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -46.34 172.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 54.23 110.984 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.485 HD11 ' C ' ' A' ' 98' ' ' HIS . 8.3 tp -115.33 165.16 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 71.45 109.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -131.51 122.2 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 74.41 111.008 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.51 HG21 ' HE2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -143.74 177.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.34 109.296 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 34' ' ' GLU . 2.3 m -151.05 132.47 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 65.31 110.413 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.404 ' HB3' ' CD1' ' A' ' 78' ' ' ILE . 46.1 p90 -113.94 136.53 52.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.55 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.441 ' HG ' ' CB ' ' A' ' 39' ' ' SER . 37.8 t -142.41 153.1 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 54.13 109.959 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.42 -6.01 52.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.523 1.14 . . . . 65.34 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.653 ' HG2' HG23 ' A' ' 114' ' ' THR . 34.1 tt0 -109.32 156.65 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.786 . . . . 74.03 110.322 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.64 50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 52.13 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.653 HG23 ' HG2' ' A' ' 112' ' ' GLU . 22.9 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 64.45 110.406 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.514 HH21 ' HB3' ' A' ' 104' ' ' PHE . 13.3 ptm180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.308 -0.256 . . . . 64.02 110.308 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 25.3 tttp -47.4 -34.64 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.31 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.48 -44.72 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 63.15 109.247 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -47.39 -48.18 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 63.04 110.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -60.4 -45.39 93.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 55.13 109.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -51.19 -27.48 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 64.41 110.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -80.57 -57.44 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 43.54 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.438 HD13 ' HB3' ' A' ' 30' ' ' PRO . 8.4 mt -56.48 -20.65 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 64.53 109.333 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.8 -32.07 27.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 62.32 109.337 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.64 -35.14 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.24 109.287 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 5.3 tpt180 -84.41 -49.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.35 110.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 2.1 m-85 -139.89 88.29 12.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 61.33 111.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.44 12.54 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 72.45 110.995 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.32 24.37 11.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 62.41 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.862 ' HG3' HD11 ' A' ' 50' ' ' LEU . 18.9 mmt-85 -117.97 -177.81 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 75.54 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.627 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 13.6 mt -149.95 96.37 3.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.51 109.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.06 95.62 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 70.12 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -85.77 160.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 71.02 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.539 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 8.1 mm -134.23 93.6 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 65.23 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.824 ' HB2' HG13 ' A' ' 107' ' ' VAL . 46.0 t -98.45 157.21 16.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 60.52 108.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 108' ' ' THR . 39.6 mt-10 -139.92 118.43 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 71.24 110.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -50.01 136.53 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.53 109.267 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.879 ' HB3' ' HB3' ' A' ' 39' ' ' SER . . . -66.0 109.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 61.31 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.53 -44.45 56.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 75.52 110.275 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -62.29 -35.83 80.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 74.12 109.257 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.879 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.0 p -46.82 171.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 73.03 109.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.36 19.36 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 74.21 109.302 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.692 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -89.68 161.09 40.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 75.12 109.302 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.708 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.99 121.88 6.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.768 . . . . 71.25 110.963 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.64 164.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 61.32 110.311 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.755 HG21 ' HB3' ' A' ' 67' ' ' ARG . 4.7 pt -105.83 170.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 71.02 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -63.15 -57.4 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 51.43 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 -174.43 3.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 70.14 109.313 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.547 ' NH2' ' CG ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -126.17 101.61 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 71.44 110.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -159.46 115.94 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 70.53 109.265 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.722 ' HB2' HG12 ' A' ' 31' ' ' VAL . 81.1 m-85 -129.7 93.77 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 62.51 110.977 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.862 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.1 tm? -77.18 92.0 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 74.01 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.73 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 146.16 33.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 74.3 109.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -75.01 173.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 75.45 110.99 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -90.03 18.53 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.14 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -124.63 2.05 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 71.32 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.73 HD13 HG12 ' A' ' 51' ' ' VAL . 5.5 tt -94.66 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 64.43 109.345 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.583 HG22 ' CD1' ' A' ' 90' ' ' LEU . 11.5 p -111.58 165.01 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.54 110.384 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -52.22 -39.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 65.33 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.498 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -42.88 -61.29 2.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 70.45 111.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.62 ' CB ' HD11 ' A' ' 55' ' ' LEU . 65.7 mm-40 -45.83 -49.34 15.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 70.54 110.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.403 ' C ' ' N ' ' A' ' 62' ' ' TYR . 10.1 t80 -49.69 -58.43 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 54.23 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.919 HG22 HG12 ' A' ' 78' ' ' ILE . 25.0 t -44.57 -28.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.53 109.353 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 3.1 t80 -84.81 -44.21 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.45 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 t -52.76 -55.53 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 75.21 109.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.582 HG22 HD11 ' A' ' 68' ' ' ILE . 2.1 mp -54.25 -53.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 74.04 109.284 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' MET . 12.9 ttp85 -39.73 -32.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 71.1 110.332 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -80.48 -47.92 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 64.33 109.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.755 ' HB3' HG21 ' A' ' 44' ' ' ILE . 3.0 mpt_? -56.31 -28.87 60.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 74.31 110.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.772 HD12 HD12 ' A' ' 70' ' ' LEU . 1.3 pt -107.7 -11.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.12 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 21.0 ptp 41.4 50.71 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 75.44 110.953 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 68' ' ' ILE . 11.9 mt -64.51 163.97 23.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 74.24 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 157.42 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 65.33 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.77 10.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 64.41 111.031 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.85 -13.61 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 74.31 110.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -95.8 178.88 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 62.2 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.49 108.36 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 72.44 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.628 HD12 ' CD1' ' A' ' 68' ' ' ILE . 6.8 tt -95.53 154.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 74.4 109.298 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 80.7 m-85 -137.33 149.28 46.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 61.41 110.986 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.919 HG12 HG22 ' A' ' 61' ' ' VAL . 3.7 mm -100.1 158.87 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.04 109.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 1.072 ' CE2' HD12 ' A' ' 84' ' ' LEU . 14.6 m-85 -147.2 151.81 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 74.33 111.009 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.571 HG22 HG22 ' A' ' 83' ' ' THR . 1.1 m -137.44 123.85 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 71.43 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.7 m120 55.67 51.8 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 74.45 109.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 52.91 44.12 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 64.34 109.29 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.571 HG22 HG22 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -143.76 171.08 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 71.4 110.451 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.072 HD12 ' CE2' ' A' ' 79' ' ' PHE . 1.7 tt -128.14 95.2 34.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 70.43 109.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 169.13 23.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 72.04 110.968 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.37 40.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 74.54 110.976 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.498 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -82.11 -13.33 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 75.21 110.393 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.13 -22.6 26.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 73.42 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.597 ' HB1' ' CG1' ' A' ' 94' ' ' ILE . . . -48.82 139.65 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.43 109.285 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.583 ' CD1' HG22 ' A' ' 56' ' ' THR . 6.3 tp -91.57 131.57 36.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 64.53 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.7 mmm -60.25 -15.41 24.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 64.22 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 -43.38 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 65.4 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.08 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 73.04 109.31 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 15.7 mm -46.2 -58.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 71.31 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 t80 -59.24 -31.97 69.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 72.11 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -70.08 -28.66 65.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 72.34 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.87 -0.58 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 75.42 110.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.542 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 48.1 m80 -122.52 0.21 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 65.23 109.576 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -69.28 134.86 49.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 74.31 109.307 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.507 ' CG ' ' CE1' ' A' ' 106' ' ' TYR . 9.1 m-20 -102.62 179.23 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 70.23 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.42 109.257 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -86.9 9.04 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 71.44 109.313 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.13 -67.87 0.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 74.32 110.957 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -46.89 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 75.44 110.954 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 95' ' ' TYR . 8.1 tp -113.37 165.07 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 65.13 109.34 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -133.2 119.01 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.24 110.994 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -136.01 164.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 75.44 109.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' GLU . 93.1 m -152.44 126.72 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 61.12 110.386 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.692 ' HE1' HD11 ' A' ' 41' ' ' ILE . 5.6 p90 -113.7 151.93 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 62.35 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.1 p -144.69 148.1 33.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.1 110.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -56.23 -17.01 16.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 75.33 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -104.86 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 75.32 110.304 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -92.55 23.7 3.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 64.44 109.249 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.487 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 2.5 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 73.03 110.424 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 9.6 mmm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.3 -0.259 . . . . 74.43 110.3 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -66.23 -49.29 67.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 71.53 109.29 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.97 -42.12 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 75.04 109.301 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -67.97 -19.76 64.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 74.24 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -87.43 -36.32 17.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 73.04 110.046 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 61.52 110.237 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -82.42 -44.0 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 64.14 110.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.417 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 35.8 mt -65.93 -31.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 71.13 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -82.88 -43.14 16.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 44.52 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.92 -47.58 80.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 72.35 109.289 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -79.73 -46.93 16.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 74.14 110.345 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.4 m-85 -130.46 77.13 76.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 64.21 111.006 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.95 -0.88 10.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 75.43 111.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.17 22.17 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 72.34 109.299 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.465 ' HB3' HD11 ' A' ' 50' ' ' LEU . 13.9 mmt180 -118.01 -177.91 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 73.14 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.628 HG23 ' CD2' ' A' ' 95' ' ' TYR . 2.8 mt -141.96 92.91 7.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 70.25 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.56 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -74.95 103.58 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 73.21 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 105' ' ' LEU . 3.8 t -101.21 152.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 65.33 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.0 mm -122.58 92.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 65.43 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -85.26 127.21 34.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 72.11 108.304 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -112.85 148.17 35.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 74.41 110.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 143.13 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 75.33 109.258 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.669 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -108.75 109.0 20.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 72.12 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -49.98 -41.75 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.42 110.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 27.0 mttp -44.53 -36.75 3.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 71.12 109.286 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -68.22 173.85 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.32 110.043 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -119.99 1.01 10.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 74.14 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.972 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -74.08 163.12 70.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 61.1 109.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.21 36.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 51.12 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 64.42 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 68' ' ' ILE . 4.8 pt -113.09 -172.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 61.4 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -76.47 -57.52 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 72.44 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 -172.96 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 74.15 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.648 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -116.2 106.18 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 74.45 110.301 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -158.6 103.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 72.32 109.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 6.0 m-85 -126.69 133.73 50.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 53.42 110.983 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 28' ' ' ARG . 13.7 tp -131.34 100.96 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 52.24 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.77 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -112.55 154.66 44.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 71.13 109.344 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.13 15.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.475 1.776 . . . . 72.34 110.991 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.76 18.33 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 61.2 109.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -124.63 2.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 62.22 109.251 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.77 HD13 HG12 ' A' ' 51' ' ' VAL . 4.8 tt -94.25 155.88 16.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 65.41 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 16.4 p -108.89 164.37 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 63.41 110.431 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.7 t -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 61.01 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.23 -57.6 2.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 72.42 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.463 ' HB2' HD11 ' A' ' 55' ' ' LEU . 42.5 mm-40 -45.38 -46.6 13.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 74.55 110.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.604 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 19.3 t80 -52.78 -50.0 64.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.32 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.932 HG22 HG12 ' A' ' 78' ' ' ILE . 16.2 t -48.77 -30.9 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 61.2 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.4 t80 -82.86 -31.61 27.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 64.54 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 t -58.31 -50.91 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 54.43 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.655 HG22 HD11 ' A' ' 68' ' ' ILE . 2.2 mp -59.63 -51.23 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.13 109.287 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' MET . 31.5 ttm-85 -42.42 -29.04 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.142 . . . . 65.55 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -79.3 -46.16 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 71.15 109.326 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.54 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -58.6 -31.06 67.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.44 110.281 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.136 HD12 HD22 ' A' ' 70' ' ' LEU . 1.4 pt -107.21 -5.12 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.42 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.0 ptp 41.68 48.93 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 62.34 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.136 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -73.76 156.52 88.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 53.22 109.268 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 75.12 111.0 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 62.1 111.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -95.08 -35.93 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 71.43 110.275 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.02 177.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.32 109.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.41 109.03 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 52.32 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.683 HD13 HD11 ' A' ' 68' ' ' ILE . 2.5 tt -108.08 142.61 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.33 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.719 ' C ' HD13 ' A' ' 78' ' ' ILE . 60.8 m-85 -123.0 139.9 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 74.34 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.932 HG12 HG22 ' A' ' 61' ' ' VAL . 1.4 mm -96.1 131.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 64.13 109.288 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 84' ' ' LEU . 54.4 m-85 -126.25 117.66 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.15 111.001 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.58 HG12 HG22 ' A' ' 83' ' ' THR . 1.3 p -110.75 131.63 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 60.52 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.4 m120 45.44 64.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 51.31 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 40.49 36.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 72.14 109.282 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -136.27 179.09 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 53.31 110.369 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.855 HD13 ' CE1' ' A' ' 79' ' ' PHE . 2.9 tp -139.72 99.69 7.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 61.25 109.332 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 164.08 34.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 63.12 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.02 162.14 37.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 63.44 110.967 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -79.65 -0.9 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 63.04 110.388 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.5 -30.58 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 60.04 109.355 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -42.13 142.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 61.02 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 90' ' ' LEU . 7.2 tp -94.52 136.57 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 61.14 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.511 ' O ' HD13 ' A' ' 29' ' ' ILE . 72.3 mmm -61.99 -12.63 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.44 110.991 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -78.75 -49.76 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 73.45 110.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.74 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 74.51 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.498 HG23 ' CD2' ' A' ' 98' ' ' HIS . 17.3 mm -63.22 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 64.53 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.697 ' CD2' HD13 ' A' ' 105' ' ' LEU . 3.0 t80 -56.16 -21.9 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 73.42 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.63 -38.38 86.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 72.01 110.235 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -110.87 -0.73 16.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 72.12 110.287 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.518 ' CE1' HG13 ' A' ' 80' ' ' VAL . 92.8 m-70 -119.33 27.27 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 53.2 109.557 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -101.67 131.74 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 74.32 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -90.47 179.97 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 54.4 109.333 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -63.94 -15.54 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 70.5 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -92.96 -15.21 26.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 74.12 109.294 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.51 -51.4 1.38 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.471 1.107 . . . . 35.44 110.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 2.3 m-85 -46.15 172.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 72.41 110.991 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.697 HD13 ' CD2' ' A' ' 95' ' ' TYR . 2.8 mp -113.98 155.87 25.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 52.52 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -125.24 105.62 9.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 72.25 110.976 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.505 HG21 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -132.65 160.94 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.23 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.669 HG22 ' HB2' ' A' ' 36' ' ' ALA . 6.3 m -143.94 130.85 20.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 63.15 110.385 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.972 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.7 p90 -101.5 152.67 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 71.32 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.5 p -158.57 123.62 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 33.12 109.999 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -45.46 -24.96 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 41.21 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.09 159.73 15.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 70.04 110.299 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -96.33 69.61 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 64.41 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.546 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 3.3 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 53.22 110.382 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 85.8 mtm180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.298 -0.26 . . . . 73.15 110.298 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -48.03 -32.89 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 72.42 109.335 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.71 -39.06 80.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 55.35 109.278 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.965 ' O ' HD12 ' A' ' 21' ' ' ILE . 12.0 tt0 -58.17 -26.87 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 64.4 110.243 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -87.59 -21.07 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 53.53 109.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.05 -38.76 69.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 63.31 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 10.3 ptt85 -74.58 -43.56 55.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 71.13 110.297 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.965 HD12 ' O ' ' A' ' 17' ' ' GLU . 1.8 mt -60.94 -21.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 61.13 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.12 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 52.22 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.2 -14.91 34.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 73.31 109.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.588 ' CG ' ' CE2' ' A' ' 25' ' ' PHE . 8.6 tpt180 -101.57 -61.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 75.1 110.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CE2' ' CG ' ' A' ' 24' ' ' ARG . 1.6 m-85 -136.97 89.99 16.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 75.31 111.012 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.67 10.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.32 110.993 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -107.17 12.23 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 62.32 109.268 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -100.1 175.53 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 63.12 110.324 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.668 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.0 mt -136.11 96.44 12.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 75.4 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HB3' HD13 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.01 82.4 2.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 51.04 110.989 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.825 ' CG2' HD13 ' A' ' 105' ' ' LEU . 2.0 t -87.86 129.77 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 54.14 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -110.3 107.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.33 109.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -95.72 129.22 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 64.11 108.269 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.982 ' O ' HG23 ' A' ' 108' ' ' THR . 23.9 mt-10 -113.7 118.35 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 73.34 110.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.15 133.75 56.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 54.51 109.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -66.52 119.52 11.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 73.25 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -45.78 -39.62 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 75.4 110.264 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' SER . 28.8 mttm -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 74.31 109.294 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -39.47 134.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 72.3 109.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -96.95 27.69 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 74.4 109.336 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.504 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -99.95 162.19 21.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 74.15 109.314 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.39 17.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 64.43 110.985 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.72 170.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.14 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 68' ' ' ILE . 4.3 pt -119.21 173.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 63.45 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.72 -61.82 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 52.55 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -146.75 163.45 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 74.54 109.285 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.458 ' O ' HD11 ' A' ' 32' ' ' ILE . 52.0 mtt85 -101.75 101.19 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 62.33 110.301 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.56 133.18 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 65.13 109.329 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.456 ' CE2' ' CB ' ' A' ' 33' ' ' CYS . 89.9 m-85 -145.95 93.85 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 72.22 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -89.8 96.52 10.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 73.01 109.34 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.965 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.82 151.84 43.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 41.43 109.259 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.12 15.06 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 74.44 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.668 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -87.21 14.15 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 51.41 109.319 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -124.4 7.25 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 74.42 109.331 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 HG12 ' A' ' 51' ' ' VAL . 5.9 tt -96.65 155.2 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.31 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 p -108.78 154.92 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.02 110.387 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 61' ' ' VAL . 97.8 t -49.33 -38.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 61.54 109.321 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.485 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -40.18 -48.7 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 71.12 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 22.3 mm-40 -64.83 -49.32 71.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 75.23 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 31' ' ' VAL . 1.4 t80 -48.2 -51.59 24.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 75.22 111.039 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.772 HG22 HG13 ' A' ' 78' ' ' ILE . 3.8 t -62.58 -21.68 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 62.34 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -77.57 -61.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.44 111.044 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 60' ' ' PHE . 4.0 m -40.4 -43.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 70.3 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.631 HD11 ' CE1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -56.25 -57.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 75.54 109.3 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -47.24 -24.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 52.52 110.317 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.5 -45.21 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 75.43 109.241 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.549 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -57.93 -26.41 62.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 75.41 110.278 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.111 HD12 HD22 ' A' ' 70' ' ' LEU . 1.3 pt -111.23 -10.69 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 50.21 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 14.6 ptp 42.38 45.95 3.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.12 111.037 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.111 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -66.29 160.61 64.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 60.23 109.266 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 168.37 24.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.807 . . . . 75.1 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.08 9.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 72.02 110.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.57 -35.28 11.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.42 110.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -64.13 166.77 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 72.42 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.18 112.14 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 51.22 109.273 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.529 ' CD1' HD11 ' A' ' 68' ' ' ILE . 2.2 tt -104.19 165.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.13 109.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -156.59 141.02 16.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 71.24 111.02 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.772 HG13 HG22 ' A' ' 61' ' ' VAL . 9.3 mm -88.56 160.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 70.43 109.251 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 84' ' ' LEU . 65.1 m-85 -149.39 116.08 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.14 111.001 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.671 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.4 m -116.85 126.28 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 63.13 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.4 m120 50.64 57.8 6.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 65.23 109.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 44.89 47.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 73.21 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.647 HG22 HG22 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -140.11 -173.5 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 61.4 110.397 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.646 ' N ' HG23 ' A' ' 83' ' ' THR . 0.4 OUTLIER -144.0 95.0 5.75 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 62.22 109.283 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.59 42.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 64.34 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 72.34 111.025 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.485 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -86.06 -9.99 55.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 75.43 110.353 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.59 16.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 64.33 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -40.97 140.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 64.42 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.8 tp -90.1 134.36 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 74.45 109.262 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.608 ' CB ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -60.9 -17.27 49.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 74.34 111.009 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -73.27 -48.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 72.52 109.972 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -40.82 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 53.21 109.281 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.565 HG23 ' CD2' ' A' ' 98' ' ' HIS . 19.4 mm -54.84 -57.0 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 65.22 109.263 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.792 ' HB2' HD11 ' A' ' 105' ' ' LEU . 2.8 t80 -62.88 -31.78 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.43 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -67.78 -26.91 66.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 63.4 110.263 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -110.98 -1.44 16.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 70.21 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.775 ' O ' HD23 ' A' ' 105' ' ' LEU . 96.5 m-70 -126.19 19.47 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 44.24 109.565 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -84.47 137.37 33.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 74.24 109.276 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.61 179.94 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 64.13 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.0 -61.97 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 72.23 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -47.71 -46.22 29.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 65.03 109.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 3.86 9.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.536 1.147 . . . . 62.42 110.974 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -94.19 132.94 38.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 74.43 110.99 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.825 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.0 mt -79.74 149.41 31.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.41 109.268 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 104' ' ' PHE . 98.3 m-85 -133.58 116.17 15.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 72.42 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.545 ' CG1' HG13 ' A' ' 31' ' ' VAL . 2.1 p -140.94 165.63 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 73.14 109.306 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.982 HG23 ' O ' ' A' ' 34' ' ' GLU . 3.5 m -144.87 139.91 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 73.35 110.359 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.504 ' CE2' HD11 ' A' ' 41' ' ' ILE . 14.3 p90 -126.69 152.72 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.24 111.046 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.0 t -144.41 169.26 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 71.15 109.984 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.63 21.78 24.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 73.54 111.044 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.3 157.35 43.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 53.55 110.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -93.92 70.58 4.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 74.3 109.29 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.481 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 4.2 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 61.34 110.376 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.42 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 25.3 mtt-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.335 -0.246 . . . . 75.11 110.335 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -41.59 -42.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 72.11 109.343 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.75 -60.21 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.11 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.65 -43.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 74.12 110.334 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -63.44 -46.6 85.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.02 109.965 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ALA . 7.4 mm-40 -50.96 -27.16 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 61.14 110.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -79.47 -50.85 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.795 HG21 ' HG3' ' A' ' 30' ' ' PRO . 19.3 mt -60.33 -24.83 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 72.2 109.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.51 -26.77 34.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 54.14 109.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.2 -15.03 32.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 71.52 109.246 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.563 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -105.72 -62.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 72.01 110.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 6.3 m-85 -121.95 76.29 39.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 71.13 111.027 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 74.25 110.977 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -102.84 14.34 32.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 63.42 109.256 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.4 mmt-85 -115.49 -177.93 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 75.13 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' VAL . 33.9 mt -147.69 91.44 4.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.21 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.795 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.95 100.9 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 73.23 111.03 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -85.54 163.85 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 65.4 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.935 ' CG2' HH21 ' A' ' 47' ' ' ARG . 18.5 mm -133.64 92.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 71.23 109.289 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 107' ' ' VAL . 1.7 m -93.26 157.37 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 51.14 108.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.907 ' O ' HG23 ' A' ' 108' ' ' THR . 1.7 pt-20 -146.72 118.85 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 71.21 110.3 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.805 ' HG2' HD11 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -57.12 132.56 53.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 71.54 109.327 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.534 ' HB3' ' OG ' ' A' ' 39' ' ' SER . . . -78.94 109.91 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 72.43 109.272 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 15.6 pt-20 -42.62 -47.86 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 71.32 110.316 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.36 -47.07 9.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 74.2 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -49.26 170.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 53.0 109.978 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.32 15.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.11 109.304 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.805 HD11 ' HG2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -72.68 160.41 82.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 70.13 109.276 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.569 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.0 126.88 10.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 74.31 110.985 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.66 158.38 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 61.43 110.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.812 ' CG2' HG23 ' A' ' 68' ' ' ILE . 47.4 pt -111.56 -174.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 71.2 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -82.48 -53.06 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 73.25 109.289 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -151.57 173.18 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.12 109.319 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.935 HH21 ' CG2' ' A' ' 32' ' ' ILE . 2.1 ptm180 -117.8 101.31 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 65.11 110.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 127.16 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 73.24 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.797 ' HB2' HG12 ' A' ' 31' ' ' VAL . 75.8 m-85 -145.15 98.7 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 74.53 110.971 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD21 HD13 ' A' ' 21' ' ' ILE . 11.8 mt -88.2 97.14 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 73.53 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.945 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.44 150.31 40.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 71.41 109.277 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.6 14.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 74.32 110.986 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HB1' ' OG ' ' A' ' 92' ' ' SER . . . -88.5 17.54 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 53.42 109.314 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -124.62 1.9 8.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 64.23 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.945 HD13 HG12 ' A' ' 51' ' ' VAL . 6.9 tt -89.93 156.34 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 74.42 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -108.05 159.59 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 52.35 110.398 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' PHE . 92.0 t -54.04 -47.37 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 55.33 109.324 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.05 -56.22 2.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 73.35 111.004 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -49.27 -41.6 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 72.34 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.767 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 2.7 t80 -56.23 -60.47 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 73.53 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -40.68 -29.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 52.44 109.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.446 ' N ' ' C ' ' A' ' 60' ' ' PHE . 10.6 t80 -86.05 -43.43 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 70.12 111.037 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.558 HG12 ' CD1' ' A' ' 49' ' ' TYR . 15.4 t -55.5 -38.02 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 55.25 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' A' ' 60' ' ' PHE . 3.6 mp -68.47 -57.83 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 65.12 109.301 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 72' ' ' PRO . 24.8 ttp180 -39.01 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 74.12 110.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -73.62 -53.12 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 61.25 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.611 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -51.31 -21.11 1.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.431 1.082 . . . . 74.24 110.28 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.993 HD12 HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -108.13 -21.16 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 44.51 109.284 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ARG . 1.1 mtt 68.52 27.08 6.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.51 110.969 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.993 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -64.05 156.12 75.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 75.33 109.316 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.54 20.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 53.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 18.3 Cg_endo -75.03 -3.24 13.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.821 . . . . 74.54 111.017 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -91.63 -35.28 14.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.41 110.279 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 172.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 71.34 109.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.31 106.06 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 40.3 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.757 HD12 ' CD1' ' A' ' 68' ' ' ILE . 2.8 tt -100.33 132.2 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 73.12 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 112' ' ' GLU . 23.6 m-85 -105.56 146.71 29.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 51.01 110.994 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.54 HG22 ' CG2' ' A' ' 107' ' ' VAL . 3.4 mm -109.43 139.41 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 54.21 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 94.6 m-85 -124.99 111.24 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.13 110.946 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.712 ' O ' HG22 ' A' ' 83' ' ' THR . 41.2 t -98.49 121.71 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 71.44 109.316 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' VAL . 9.6 m-80 40.35 53.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.13 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 56.04 43.85 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.42 109.274 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -142.18 155.73 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 63.34 110.399 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.527 HD13 ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -127.48 92.27 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 75.25 109.31 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.93 25.95 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.463 1.77 . . . . 74.32 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.09 173.2 14.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.536 1.809 . . . . 51.13 110.983 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.63 -11.27 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.03 110.377 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -26.71 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 53.13 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.476 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -45.96 139.66 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.31 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -88.96 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 65.21 109.292 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 81.2 mmm -66.4 -9.31 32.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 63.23 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.437 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 7.9 t -86.31 -43.11 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 72.05 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.97 -28.39 32.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 72.24 109.29 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 94' ' ' ILE . 15.7 mm -70.01 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.52 109.292 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 1.8 t80 -58.33 -25.46 61.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 61.45 111.03 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -71.1 -35.67 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 64.53 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -99.43 -1.89 37.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 72.13 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.418 ' O ' HD12 ' A' ' 105' ' ' LEU . 30.1 m-70 -126.06 10.76 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.12 109.594 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.17 134.45 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 72.11 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -78.3 178.57 7.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 73.35 109.242 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -80.02 -15.52 57.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 72.43 109.293 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -104.43 10.73 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.01 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.81 -59.84 3.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 63.24 111.019 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -44.15 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 74.54 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 95' ' ' TYR . 8.1 tp -115.05 122.12 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 75.45 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.0 114.75 27.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 72.41 110.977 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -140.56 159.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 53.13 109.31 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.907 HG23 ' O ' ' A' ' 34' ' ' GLU . 52.6 m -143.9 125.69 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.02 110.368 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 5.5 p90 -107.4 155.63 19.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 71.43 111.005 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.4 t -151.85 133.28 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 62.43 109.977 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.432 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -48.41 -25.9 4.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 62.53 111.036 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 17.1 pt-20 -91.21 -179.48 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 65.35 110.306 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 46.7 t30 -119.6 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 51.12 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.59 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.0 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 63.42 110.394 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.305 -0.258 . . . . 73.42 110.305 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -64.97 -24.46 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.33 109.271 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.7 -52.43 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.05 109.321 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -54.53 -33.77 60.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 72.42 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -69.77 -42.7 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.01 109.983 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -50.33 -33.69 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.33 110.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -79.31 -52.69 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 73.41 110.235 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.678 HG21 ' HG3' ' A' ' 30' ' ' PRO . 15.9 mt -58.37 -21.4 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 71.13 109.284 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.43 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 70.31 109.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.84 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 75.53 109.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 27.3 tpt180 -99.61 -58.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 72.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.496 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 10.8 m-85 -122.78 75.12 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 65.44 110.982 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 75.02 110.994 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -104.76 -6.09 20.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 75.53 109.301 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 71.2 mmt-85 -93.82 -177.9 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 73.4 110.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.831 HG23 ' CD2' ' A' ' 95' ' ' TYR . 23.2 mt -148.51 92.56 4.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 73.04 109.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.678 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.1 Cg_endo -75.06 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 71.52 110.97 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.628 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -85.67 160.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 55.32 109.257 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 104' ' ' PHE . 7.7 mm -135.55 92.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 64.43 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.3 p -94.56 155.33 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 55.11 108.255 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.008 ' O ' HG23 ' A' ' 108' ' ' THR . 9.6 mt-10 -140.56 120.77 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 71.54 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -58.42 134.77 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 54.32 109.349 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.34 121.92 18.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 74.43 109.296 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.3 pt-20 -56.77 -42.47 79.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 43.14 110.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -58.78 -24.52 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 72.14 109.269 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.426 ' OG ' HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -60.24 176.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.45 109.988 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -133.01 15.1 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 64.53 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.594 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -81.4 163.17 55.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 73.02 109.288 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.491 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.98 123.25 7.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 75.25 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.32 170.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 74.11 110.284 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.635 HG21 ' HB3' ' A' ' 67' ' ' ARG . 7.9 pt -117.74 -174.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 73.01 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -77.15 -57.1 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 74.52 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -151.61 169.24 22.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.22 109.328 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -108.77 101.73 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 53.35 110.268 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -159.07 109.51 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 74.13 109.289 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.729 ' CE1' HG12 ' A' ' 63' ' ' VAL . 33.2 m-85 -133.6 93.84 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 60.23 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 5.8 tp -84.1 98.03 9.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 61.31 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.724 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.23 155.17 42.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 61.14 109.296 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.57 14.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 45.31 111.058 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -88.71 18.33 4.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 55.2 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -119.29 -4.16 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.42 109.325 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.724 HD13 ' CG1' ' A' ' 51' ' ' VAL . 8.3 tt -85.64 158.53 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.1 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 90' ' ' LEU . 11.6 p -118.61 156.1 29.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 44.34 110.427 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 61' ' ' VAL . 50.9 t -43.6 -48.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 64.51 109.305 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -62.18 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 71.34 111.03 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.31 -58.76 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 74.45 110.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 64' ' ' ILE . 29.0 t80 -45.59 -53.66 8.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 73.53 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 57' ' ' VAL . 28.9 t -42.92 -35.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 75.11 109.33 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.4 -42.0 21.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 54.3 110.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.729 HG12 ' CE1' ' A' ' 49' ' ' TYR . 3.3 t -46.11 -45.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 65.01 109.265 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 60' ' ' PHE . 1.9 mp -66.02 -49.94 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 73.52 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 1.018 HH21 HG22 ' A' ' 76' ' ' ILE . 13.6 ttm180 -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 74.34 110.285 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 75.24 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.635 ' HB3' HG21 ' A' ' 44' ' ' ILE . 2.1 mmp_? -55.77 -30.9 62.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 71.41 110.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.007 HD12 HD22 ' A' ' 70' ' ' LEU . 1.9 pt -102.99 -12.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 70.14 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.7 ptp 41.39 49.59 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 63.04 110.968 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.007 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -70.08 157.19 90.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.53 109.272 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.52 22.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 64.23 110.962 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.37 11.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 74.13 111.022 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.55 -27.8 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 73.41 110.317 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 177.88 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.54 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.16 106.58 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 64.52 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 1.018 HG22 HH21 ' A' ' 65' ' ' ARG . 5.1 tt -108.07 164.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.14 109.342 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 76' ' ' ILE . 79.6 m-85 -153.63 136.69 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 71.15 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.623 HG12 HG22 ' A' ' 61' ' ' VAL . 3.0 mm -93.56 145.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.31 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 114' ' ' THR . 3.2 m-85 -129.99 133.45 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 62.34 110.991 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.636 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 p -117.13 132.56 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.41 109.298 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 m120 49.56 48.43 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 62.05 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.31 29.27 14.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.04 109.319 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.669 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -130.33 -173.5 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.31 110.4 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.669 ' N ' HG23 ' A' ' 83' ' ' THR . 0.2 OUTLIER -133.74 100.65 13.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.14 109.293 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.4 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.79 . . . . 72.11 111.016 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.7 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.05 161.61 38.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 62.4 110.963 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 87' ' ' THR . 0.7 OUTLIER -84.99 4.39 34.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 63.22 110.366 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.71 -16.71 13.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 64.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.7 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . . . -58.0 144.75 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 63.2 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.638 HD12 HG22 ' A' ' 56' ' ' THR . 5.8 tp -95.14 130.7 41.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 61.55 109.25 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 87.6 mmm -58.35 -15.83 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 64.21 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.581 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 85.3 p -74.13 -49.35 24.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.32 110.034 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.42 65.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 75.14 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 98' ' ' HIS . 17.4 mm -68.03 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 71.25 109.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.831 ' CD2' HG23 ' A' ' 29' ' ' ILE . 2.3 t80 -58.8 -16.33 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 71.41 110.98 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -74.89 -36.27 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.45 110.305 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.82 -0.8 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 64.51 110.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' ILE . 47.4 m-70 -116.66 19.75 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 73.45 109.596 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 127.52 35.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 52.32 109.3 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.34 179.82 4.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.43 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -65.39 -31.75 73.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.14 109.284 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.77 -19.2 64.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 74.44 109.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.19 -7.27 82.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 75.05 110.957 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CD1' HG13 ' A' ' 32' ' ' ILE . 2.1 m-85 -97.19 177.81 5.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 72.33 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.667 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -106.48 154.9 20.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 44.53 109.305 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -121.15 103.75 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 75.11 111.023 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.558 ' CG2' HG22 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -135.09 163.83 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 72.22 109.302 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . 1.008 HG23 ' O ' ' A' ' 34' ' ' GLU . 55.2 m -153.9 118.31 4.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.22 110.401 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.594 ' HE1' HD11 ' A' ' 41' ' ' ILE . 19.7 p90 -101.56 155.14 18.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 75.21 111.005 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.452 ' O ' ' CG1' ' A' ' 76' ' ' ILE . 4.1 t -154.68 169.74 23.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 60.25 109.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.09 -2.5 90.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.555 1.159 . . . . 74.21 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 114' ' ' THR . 12.3 tp10 -105.99 166.56 10.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 72.41 110.336 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.496 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -103.96 54.88 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 62.25 109.299 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 2.8 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 73.4 110.371 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.278 -0.267 . . . . 74.11 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -84.17 -41.41 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 73.12 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.52 84.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 75.42 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 7.1 pt-20 -64.06 -34.12 77.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.31 110.236 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -84.9 -11.27 55.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.25 110.001 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' LYS . 4.3 mm-40 -79.93 -35.8 37.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 74.51 110.272 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 1.9 ptp180 -77.81 -43.36 30.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 75.3 110.325 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 4.5 mt -70.15 -18.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 52.34 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 18' ' ' SER . . . -85.44 -44.54 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 75.13 109.331 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.67 -42.21 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 75.13 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.52 -55.02 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 70.14 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 1.8 m-85 -134.11 83.22 45.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 74.35 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.13 9.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 75.34 110.988 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -96.93 -5.68 37.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 71.54 109.276 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.806 ' HG3' HD11 ' A' ' 50' ' ' LEU . 9.2 mmp_? -89.23 -177.97 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 73.24 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 53' ' ' ALA . 4.3 mt -147.49 91.48 5.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 73.41 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.55 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.5 Cg_endo -74.94 86.63 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 73.41 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.648 HG13 ' HB3' ' A' ' 105' ' ' LEU . 44.9 t -85.71 145.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 73.44 109.341 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 47' ' ' ARG . 1.7 mm -111.95 91.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.34 109.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -70.52 157.07 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 71.11 108.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.549 ' OE2' HG22 ' A' ' 32' ' ' ILE . 12.8 mp0 -126.13 156.91 39.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 75.23 110.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.697 ' HZ2' ' C ' ' A' ' 42' ' ' PRO . 4.0 tptm -97.5 132.42 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 65.24 109.304 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.59 107.91 20.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 75.1 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 12.4 pt-20 -69.06 -43.65 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 65.51 110.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 5.5 mmmt -45.53 -31.53 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.45 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t -72.99 169.55 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 73.05 109.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.14 32.36 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 62.53 109.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -108.59 153.7 42.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 71.13 109.255 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.697 ' C ' ' HZ2' ' A' ' 35' ' ' LYS . 18.1 Cg_endo -75.06 161.54 38.43 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 74.4 110.958 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' N ' ' HZ2' ' A' ' 35' ' ' LYS . 19.5 tt0 -79.2 167.64 20.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 72.42 110.338 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 68' ' ' ILE . 6.7 pt -111.06 179.24 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 74.31 109.333 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.434 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -78.29 -52.13 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 61.15 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -156.62 -174.32 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 70.14 109.336 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.718 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -120.73 103.95 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 73.31 110.306 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -158.81 111.18 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 62.4 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 33' ' ' CYS . 69.6 m-85 -136.75 94.97 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 72.31 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.806 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.7 tm? -88.56 93.43 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 70.22 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.702 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.9 153.7 44.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 72.13 109.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 71.33 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -90.25 19.1 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.34 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -124.49 1.97 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 73.01 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.702 HD13 HG12 ' A' ' 51' ' ' VAL . 5.5 tt -92.21 155.47 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 53.1 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 13.4 p -105.1 160.73 14.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 73.33 110.377 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 61' ' ' VAL . 89.6 t -51.16 -43.53 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 75.43 109.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.18 -63.44 2.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 70.24 110.992 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.526 ' HB2' HD11 ' A' ' 55' ' ' LEU . 9.7 mm100 -44.76 -47.89 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 64.35 110.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CE2' HD11 ' A' ' 64' ' ' ILE . 16.3 t80 -59.6 -40.73 88.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 74.51 111.0 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.964 HG22 HG13 ' A' ' 78' ' ' ILE . 14.8 t -60.07 -16.58 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 72.3 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.4 ' HD1' HH21 ' A' ' 65' ' ' ARG . 1.2 t80 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 75.21 111.013 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.18 -38.52 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.33 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' CE2' ' A' ' 60' ' ' PHE . 1.7 mp -69.23 -46.93 76.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 73.33 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.4 ttp180 -54.3 -18.83 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 64.01 110.301 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -50.48 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 73.23 109.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.531 ' HB3' HG22 ' A' ' 44' ' ' ILE . 3.5 mmp_? -54.05 -27.2 30.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.55 110.348 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.973 HD12 HD12 ' A' ' 70' ' ' LEU . 1.2 pt -108.0 -15.17 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 71.15 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.9 ptp 41.35 50.37 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 73.11 110.973 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.973 HD12 HD12 ' A' ' 68' ' ' ILE . 6.4 mt -64.55 161.41 44.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 55.32 109.247 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.35 40.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 63.01 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.782 . . . . 63.13 111.029 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -98.49 -20.57 17.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 72.13 110.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' CD ' HD22 ' A' ' 70' ' ' LEU . 3.3 mttm -84.82 172.34 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 65.11 109.287 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.25 111.74 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 42.42 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.789 HD11 ' HD1' ' A' ' 109' ' ' TYR . 2.5 tt -103.12 157.2 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 74.32 109.272 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.616 ' O ' HD13 ' A' ' 78' ' ' ILE . 57.1 m-85 -137.15 167.51 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 62.45 110.976 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.964 HG13 HG22 ' A' ' 61' ' ' VAL . 5.1 mm -123.77 133.89 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 73.34 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CE1' HD12 ' A' ' 84' ' ' LEU . 3.8 m-85 -120.97 151.55 39.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.01 111.016 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -145.01 122.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 43.15 109.284 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m120 60.43 38.5 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 75.44 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.57 38.23 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 65.03 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -133.16 -173.72 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 64.45 110.374 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.548 ' N ' HG23 ' A' ' 83' ' ' THR . 1.5 tt -141.9 93.08 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 74.04 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.92 40.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 72.05 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.89 30.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 70.43 110.993 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -80.12 -13.77 59.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 71.25 110.402 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.43 -28.8 24.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 64.31 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.534 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -44.33 138.26 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 63.43 109.25 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -88.13 137.75 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.24 109.262 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 mmm -67.57 -8.21 32.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.11 111.012 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -89.4 -40.51 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 75.3 109.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.79 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 62.31 109.274 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.747 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.1 mm -65.39 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.41 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.621 ' HB2' HD22 ' A' ' 105' ' ' LEU . 1.6 t80 -59.51 -23.45 62.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 73.55 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.91 -36.6 84.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 42.1 110.297 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.8 -0.68 16.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 71.4 110.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.747 ' CD2' HG23 ' A' ' 94' ' ' ILE . 86.4 m-70 -114.01 -7.06 13.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 73.54 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.83 140.4 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 64.14 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.428 ' HB2' ' CD1' ' A' ' 106' ' ' TYR . 5.0 t0 -96.92 179.81 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.52 109.279 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -73.24 -21.79 60.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 73.15 109.234 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.9 15.12 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 51.35 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.89 -55.25 3.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 75.35 110.959 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 18' ' ' SER . 2.0 m-85 -51.31 -175.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 60.33 111.025 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.648 ' HB3' HG13 ' A' ' 31' ' ' VAL . 7.7 tp -120.23 159.27 25.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 74.43 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -129.07 101.35 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 75.5 111.031 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.503 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -130.43 153.51 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 55.32 109.36 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.451 HG23 ' CB ' ' A' ' 34' ' ' GLU . 4.0 m -138.55 132.62 31.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 75.41 110.431 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.789 ' HD1' HD11 ' A' ' 76' ' ' ILE . 53.3 p90 -101.6 147.41 26.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 75.24 110.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.9 m -140.24 143.47 36.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 71.14 110.029 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.5 -7.87 48.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 54.44 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.825 ' HG3' HG23 ' A' ' 114' ' ' THR . 12.1 tp10 -105.97 165.58 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 51.01 110.286 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.572 ' ND2' ' CE2' ' A' ' 77' ' ' PHE . 34.6 t-20 -101.24 62.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 40.11 109.299 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.825 HG23 ' HG3' ' A' ' 112' ' ' GLU . 52.2 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 75.22 110.382 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.501 0.191 . . . . 64.15 110.959 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -121.35 -49.29 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 73.3 109.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -140.74 136.3 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 73.42 110.028 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.9 p -117.71 -4.59 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 75.44 110.408 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -69.19 -38.41 78.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 64.24 110.992 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.75 -35.9 20.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 64.22 109.248 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.2 t -77.13 -63.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 75.23 110.023 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 4' ' ' THR . 6.6 tt0 -60.76 -52.55 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 73.32 110.25 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.73 164.87 13.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 73.55 110.983 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 71.51 110.993 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 1.2 t80 -73.51 -31.23 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 62.1 111.007 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' ALA . 31.4 mt-10 -67.49 -51.62 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 64.12 110.287 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.709 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 31.9 mmtt -42.76 -53.8 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 64.02 109.28 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.519 HH21 HG21 ' A' ' 32' ' ' ILE . 12.3 ttt180 -53.22 -57.48 10.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 64.34 110.273 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -58.53 -21.4 52.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 72.25 109.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -71.48 -60.22 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 54.42 109.324 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -46.85 -25.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.43 110.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 t -81.42 -41.31 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 65.23 110.014 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -49.81 -34.91 21.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 72.04 110.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -79.2 -42.98 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.22 110.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.8 mt -63.38 -21.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 44.12 109.34 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -41.23 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.41 109.295 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.72 -28.29 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 70.24 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.3 mmt180 -86.35 -52.17 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 72.42 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 2.3 m-85 -137.49 78.4 38.15 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 73.22 110.996 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 65.23 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.62 14.7 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 61.15 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.7 mpt_? -107.06 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 63.24 110.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' VAL . 12.4 mt -146.47 90.52 5.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 64.13 109.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -75.01 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 72.21 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 5.7 t -85.78 131.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.04 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.626 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -106.67 93.51 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 64.25 109.262 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' HG ' ' HD2' ' A' ' 109' ' ' TYR . 6.7 t -80.77 157.32 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 51.02 108.344 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.984 ' O ' HG23 ' A' ' 108' ' ' THR . 23.9 mt-10 -136.41 120.1 17.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 71.25 110.286 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CE ' HG12 ' A' ' 41' ' ' ILE . 2.9 tmtt? -40.49 141.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 72.54 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.972 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -99.01 110.16 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 70.03 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 13.3 pt-20 -55.78 -47.71 76.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.21 110.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 4.6 mmmt -40.56 -57.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 72.34 109.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 p -50.72 176.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 55.41 110.04 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -128.47 15.1 6.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 73.52 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.867 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -74.25 162.02 75.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 74.03 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.05 130.42 13.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 41.33 111.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.93 170.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 63.21 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.729 HG23 HG23 ' A' ' 68' ' ' ILE . 4.9 pt -110.2 -172.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 54.4 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -88.84 -49.72 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 55.05 109.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -149.29 164.67 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 73.04 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -112.45 101.96 10.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 75.14 110.258 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -158.74 131.88 7.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 75.33 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 64' ' ' ILE . 61.2 m-85 -147.62 106.76 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 73.22 111.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 30' ' ' PRO . 11.1 mt -103.47 93.48 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 65.03 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.457 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.87 156.18 42.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.33 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.07 15.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.507 1.793 . . . . 75.42 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.42 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 73.11 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -120.53 -2.67 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.53 109.306 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 59' ' ' GLN . 5.7 tt -92.58 156.57 17.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.02 109.362 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.627 HG22 ' CD1' ' A' ' 90' ' ' LEU . 11.9 p -113.2 164.86 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 54.42 110.352 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' VAL . 95.5 t -50.49 -41.49 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 74.51 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.444 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.81 -60.84 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 71.2 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.649 ' HB2' HD11 ' A' ' 55' ' ' LEU . 13.4 mt-30 -52.2 -53.1 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 73.25 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 37.4 t80 -47.17 -55.99 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 62.3 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.792 HG22 HG12 ' A' ' 78' ' ' ILE . 19.9 t -45.08 -31.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 64.41 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -80.56 -48.81 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 72.05 111.042 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 t -47.59 -53.56 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 72.23 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 49' ' ' TYR . 1.8 mp -55.18 -45.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 72.31 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' MET . 16.0 ttm180 -52.56 -20.51 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 72.51 110.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 11.0 mmmm -80.3 -47.56 14.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 62.22 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' HB3' HG21 ' A' ' 44' ' ' ILE . 5.7 mmp_? -57.06 -27.71 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.22 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 70' ' ' LEU . 1.3 pt -107.91 -12.77 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 52.44 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 13.7 ptp 40.56 51.55 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.24 110.977 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.91 HD12 HD12 ' A' ' 68' ' ' ILE . 8.9 mt -64.54 164.37 20.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 63.03 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.29 38.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 52.13 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.91 19.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 64.13 111.021 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -91.36 -18.02 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.35 110.264 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -90.22 176.33 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 71.25 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.06 111.82 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 50.12 109.286 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.603 HD12 ' CD1' ' A' ' 68' ' ' ILE . 7.7 tt -98.44 157.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 70.41 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 113' ' ' ASN . 47.2 m-85 -135.34 146.31 48.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 72.12 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.792 HG12 HG22 ' A' ' 61' ' ' VAL . 9.9 mm -96.42 148.83 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.43 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 1.102 ' CE2' HD12 ' A' ' 84' ' ' LEU . 41.4 m-85 -139.92 141.73 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 73.33 110.954 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.744 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -132.67 133.79 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 72.23 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m120 50.69 43.84 27.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 74.52 109.276 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.7 40.93 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 71.4 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.744 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -135.24 -173.74 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.53 110.425 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.102 HD12 ' CE2' ' A' ' 79' ' ' PHE . 3.4 tt -141.24 93.51 8.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 55.33 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 158.82 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 65.45 111.018 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.789 . . . . 74.12 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.444 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -79.54 -21.39 45.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 61.35 110.373 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.79 -35.01 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 73.43 109.247 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.04 139.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 71.52 109.32 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.627 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.0 tp -90.63 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 73.15 109.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.6 mmm -63.72 -12.8 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.1 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -88.52 -41.08 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 72.02 109.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.49 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 62.53 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.696 HG23 ' ND1' ' A' ' 98' ' ' HIS . 18.3 mm -64.79 -61.28 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 64.12 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.1 t80 -55.85 -24.85 39.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.23 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.79 -40.09 94.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.41 110.334 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.8 -0.74 23.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 70.33 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.696 ' ND1' HG23 ' A' ' 94' ' ' ILE . 45.5 m80 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 75.44 109.583 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -52.73 145.2 12.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 71.2 109.32 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.41 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 1.9 t70 -100.72 180.0 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 73.54 109.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.37 -17.34 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 74.53 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -89.67 -15.05 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 55.21 109.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.6 -55.89 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 53.04 111.037 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.626 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -51.84 177.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 74.42 110.951 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 105' ' ' LEU . 7.7 tp -116.94 157.57 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 71.25 109.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.595 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.79 101.12 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.35 111.026 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -126.49 163.94 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 55.43 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.984 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.1 m -147.42 136.5 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 42.51 110.422 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.867 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.2 p90 -109.8 149.73 29.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 61.4 110.984 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -146.46 140.25 26.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 75.12 109.971 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.01 -16.42 32.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 42.43 110.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -106.25 157.85 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 75.55 110.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 38.8 t-20 -96.44 60.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 74.52 109.278 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.3 p -137.44 150.32 47.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.42 110.405 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 9.8 m-85 -85.0 -3.55 58.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 64.22 111.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 63.52 110.972 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.519 0.199 . . . . 73.31 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -120.78 -171.2 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 64.14 109.289 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -66.28 149.76 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.53 109.966 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 6' ' ' LYS . 3.0 p -96.29 -13.66 23.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 62.03 110.374 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CE2' ' NH1' ' A' ' 14' ' ' ARG . 3.9 m-30 -37.79 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 75.45 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' THR . 14.4 mtmt -68.3 -56.55 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 71.45 109.32 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -81.66 -66.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 73.21 110.024 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -39.63 -54.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 74.3 110.312 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -106.61 159.41 29.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 55.43 110.997 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.78 42.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.794 . . . . 75.54 111.032 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -70.47 -25.99 63.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.52 111.003 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -75.94 -15.47 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 50.53 110.286 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.599 ' HA ' ' HZ3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -64.6 -64.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 34.43 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' NH1' ' CE2' ' A' ' 5' ' ' PHE . 17.3 mmm180 -55.9 -50.97 69.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 70.45 110.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -44.4 -44.37 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 73.03 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 18' ' ' SER . . . -64.89 -60.13 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.41 109.315 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 73.52 110.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' ALA . 28.3 t -82.74 -51.54 7.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 62.12 109.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -49.62 -27.09 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 70.44 110.302 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -81.87 -51.58 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.44 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 30' ' ' PRO . 31.9 mt -60.82 -19.16 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 63.22 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.95 -37.02 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 62.42 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.3 -28.17 66.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 71.13 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.554 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.12 -49.13 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 74.24 110.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.1 m-85 -131.88 80.48 65.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.02 110.999 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.18 19.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 62.01 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -100.59 28.1 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 63.21 109.308 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HB3' HD11 ' A' ' 50' ' ' LEU . 62.2 mmt-85 -125.25 -177.92 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 73.44 110.326 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 15.4 mt -147.99 91.22 4.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 64.33 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.0 90.45 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 51.21 111.008 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.631 HG22 ' CB ' ' A' ' 105' ' ' LEU . 2.6 t -88.88 146.78 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 55.4 109.334 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -112.36 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 71.31 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.588 ' SG ' ' CE2' ' A' ' 109' ' ' TYR . 24.2 t -95.45 148.96 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 65.33 108.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 108' ' ' THR . 5.3 mt-10 -137.25 152.73 50.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 62.21 110.325 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 3.6 tmtt? -77.87 135.34 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 65.2 109.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.47 124.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 33.24 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.1 pt-20 -63.23 -47.78 81.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 74.2 110.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 6.5 mmmt -47.23 -41.36 18.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 73.4 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 177.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 73.43 110.001 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.81 22.15 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.04 109.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -91.13 157.31 43.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 71.12 109.326 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 138.06 22.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 75.31 110.973 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.69 169.42 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 72.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.567 HG23 HG23 ' A' ' 68' ' ' ILE . 8.9 pt -112.01 179.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 71.04 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -63.14 -62.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 71.41 109.326 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -152.87 -175.84 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 74.33 109.316 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.701 ' O ' HD13 ' A' ' 32' ' ' ILE . 7.5 mtm-85 -110.4 101.91 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.2 110.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -158.76 104.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 64.12 109.262 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 76.3 m-85 -126.46 93.78 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 73.45 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 28' ' ' ARG . 2.5 tp -95.46 94.82 8.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.15 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -112.56 155.52 43.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 74.21 109.291 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.15 15.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 75.53 110.996 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.3 17.12 6.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 71.44 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -114.11 -11.64 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.13 109.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 59' ' ' GLN . 6.2 tt -85.78 156.56 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.14 109.347 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.474 HG22 HD12 ' A' ' 90' ' ' LEU . 12.0 p -113.69 167.22 10.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 73.42 110.386 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.7 -43.43 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 64.24 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -41.39 -62.7 1.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 72.25 110.956 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.596 ' HB2' HD11 ' A' ' 55' ' ' LEU . 5.2 mt-30 -45.42 -50.09 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 72.13 110.287 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.613 ' CE2' HD11 ' A' ' 64' ' ' ILE . 7.7 t80 -48.44 -48.01 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.15 110.977 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.806 HG22 HG13 ' A' ' 78' ' ' ILE . 20.0 t -51.87 -32.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 62.01 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.59 ' HD1' HH21 ' A' ' 65' ' ' ARG . 1.9 t80 -81.16 -50.46 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.22 110.982 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 t -46.87 -45.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 50.44 109.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' A' ' 60' ' ' PHE . 2.1 mp -64.78 -55.01 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 74.12 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.59 HH21 ' HD1' ' A' ' 62' ' ' TYR . 20.3 ttp180 -46.46 -24.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.53 110.313 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 64' ' ' ILE . 27.4 mmtp -79.63 -44.49 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 54.22 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.516 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.8 mmt-85 -62.6 -27.09 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 74.5 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.73 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.3 pt -107.83 -8.46 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 72.15 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' ARG . 12.4 ptp 39.61 54.13 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 74.13 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.6 mt -68.7 163.77 51.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 63.43 109.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 158.02 42.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 60.41 110.972 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.16 10.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 72.51 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -99.45 -17.2 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 72.15 110.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -91.69 176.94 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 74.14 109.258 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.22 110.36 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 72.11 109.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.57 HD12 ' CD1' ' A' ' 68' ' ' ILE . 10.5 tt -93.84 141.42 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 72.03 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 85.6 m-85 -109.46 165.87 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 72.34 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.806 HG13 HG22 ' A' ' 61' ' ' VAL . 3.9 mm -122.58 134.87 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 70.3 109.264 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.733 ' CE2' HD13 ' A' ' 84' ' ' LEU . 74.4 m-85 -130.81 131.93 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.21 110.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.634 ' O ' HG22 ' A' ' 83' ' ' THR . 1.5 p -135.23 140.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 63.3 109.267 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 m120 49.54 32.93 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 73.21 109.326 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 64.23 36.87 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 70.24 109.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -137.32 -173.7 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 75.1 110.43 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.733 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -144.8 92.98 5.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 71.23 109.321 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.2 Cg_endo -75.0 169.11 23.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.759 . . . . 75.01 110.989 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 75.04 110.999 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.442 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 1.2 t -84.78 -19.94 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 62.43 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.38 42.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 62.45 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -43.86 139.75 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.35 109.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD12 HG22 ' A' ' 56' ' ' THR . 7.2 tp -89.67 134.46 34.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 74.43 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.77 -15.83 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 53.11 110.945 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.2 p -81.79 -46.4 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.12 110.032 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.15 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 35.41 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.828 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.2 mm -69.02 -61.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 72.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 95' ' ' TYR . 2.2 t80 -59.41 -16.85 25.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 64.33 111.032 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -72.67 -38.82 67.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.52 110.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.58 -0.64 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 72.14 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.828 ' CD2' HG23 ' A' ' 94' ' ' ILE . 70.0 m-70 -108.41 -24.24 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 70.4 109.556 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -40.32 140.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 70.03 109.326 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.33 -179.96 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 64.42 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -72.86 -16.19 61.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 72.5 109.289 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.541 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 26.5 t70 -87.28 -20.51 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 73.04 109.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.17 -70.57 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 71.21 111.026 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 30' ' ' PRO . 1.8 m-85 -47.17 175.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 75.32 111.006 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 98' ' ' HIS . 7.7 tp -109.34 159.82 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 65.41 109.252 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.56 101.81 5.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 73.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.554 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -126.01 156.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 75.14 109.287 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 34' ' ' GLU . 86.8 m -149.88 134.77 17.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.35 110.398 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.612 ' CD2' HG21 ' A' ' 64' ' ' ILE . 2.8 p90 -113.34 157.38 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.31 110.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.7 p -143.38 127.9 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.11 110.04 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -42.64 -27.13 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 54.24 111.012 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -106.41 162.46 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 54.24 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 11.5 t-20 -90.07 62.33 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 60.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.533 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 p -115.6 154.72 28.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 70.52 110.41 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -98.4 0.97 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 74.3 110.993 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 75.24 111.027 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtm . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.467 0.175 . . . . 74.35 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -111.24 -48.48 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 75.22 109.313 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.57 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 4.1 m -140.13 156.36 46.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 74.21 109.982 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.3 p -74.64 -21.69 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 63.01 110.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 3' ' ' SER . 0.7 OUTLIER -47.78 -27.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 54.32 111.002 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.505 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 pptp? -66.8 -40.0 87.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 74.5 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.406 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 19.8 t -102.44 -67.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 62.41 110.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -38.92 -35.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 74.51 110.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -121.84 92.31 48.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 73.32 111.058 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.99 19.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.554 1.818 . . . . 74.54 111.044 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -64.92 -72.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 75.02 110.987 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -38.98 -33.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 74.02 110.325 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -70.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 63.25 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 104' ' ' PHE . 5.4 ttm105 -41.09 -52.14 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.35 110.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -42.94 -55.1 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 74.35 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.48 -47.48 69.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 63.05 109.312 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -48.21 -47.17 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 65.01 110.265 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -67.13 -44.54 79.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 41.43 110.049 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.93 -27.18 17.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 71.04 110.301 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -79.65 -38.01 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 71.14 110.315 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.737 HG21 ' HG3' ' A' ' 30' ' ' PRO . 27.7 mt -76.51 -22.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 63.24 109.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.07 -25.29 37.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 74.43 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -94.06 -15.55 24.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 71.53 109.334 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.74 -64.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 73.21 110.304 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.8 m-85 -120.44 80.2 29.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 73.33 111.0 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 60.1 110.992 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -95.99 16.12 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 70.31 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -115.54 179.79 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 74.34 110.339 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' VAL . 13.9 mt -150.19 90.35 4.4 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.23 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.737 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 74.43 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 105' ' ' LEU . 3.9 t -91.72 130.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 72.11 109.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 3.5 mm -97.98 92.04 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 72.44 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.2 t -89.31 138.59 31.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.42 108.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 1.3 pt-20 -128.65 141.5 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.02 110.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 109' ' ' TYR . 2.4 tmtt? -76.66 143.1 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 74.32 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.18 134.12 34.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 74.32 109.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.72 -46.48 75.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 65.11 110.36 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.73 -28.17 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 71.23 109.289 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -176.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 51.12 109.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.34 15.95 4.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 63.34 109.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -84.36 154.52 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.23 109.306 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.61 13.4 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 54.23 110.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -63.38 170.89 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 64.43 110.286 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 67' ' ' ARG . 3.1 pt -110.74 -175.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 63.44 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.28 -53.39 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.54 109.301 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -141.77 158.46 43.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 73.52 109.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 34' ' ' GLU . 28.3 mtm105 -107.94 101.89 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 74.33 110.328 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -158.74 124.47 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 63.11 109.283 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 92.9 m-85 -135.0 97.19 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 74.41 110.985 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 9.8 mt -94.32 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 71.53 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.576 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -113.24 155.65 44.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 72.4 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.497 1.788 . . . . 75.14 110.993 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 17.28 6.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 71.13 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -115.65 -9.05 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.42 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD13 ' CG1' ' A' ' 51' ' ' VAL . 6.9 tt -83.65 156.84 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 53.42 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -110.21 160.33 16.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 61.25 110.45 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.8 t -50.09 -50.01 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 73.53 109.295 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -61.09 1.45 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 64.11 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -43.21 -44.65 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 73.15 110.322 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' A' ' 64' ' ' ILE . 4.5 t80 -55.32 -62.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.44 110.995 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.867 HG22 HG12 ' A' ' 78' ' ' ILE . 21.8 t -40.48 -32.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 72.41 109.299 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.84 -48.1 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 71.34 110.99 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' PHE . 2.6 t -45.88 -55.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 74.53 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.745 HD11 ' CE1' ' A' ' 60' ' ' PHE . 2.3 mp -51.2 -52.14 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 72.33 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' MET . 22.7 ttm180 -45.55 -25.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 63.13 110.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -81.68 -42.69 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 75.03 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.632 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.3 mpt_? -60.77 -23.73 65.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.33 110.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.988 HD12 HD22 ' A' ' 70' ' ' LEU . 1.6 pt -116.51 -5.86 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 73.22 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.6 ptp 41.17 49.44 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 71.32 111.028 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.988 HD22 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -68.55 158.82 84.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 75.5 109.342 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.38 22.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 70.33 111.055 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.37 8.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.453 1.764 . . . . 71.34 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.78 -38.2 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 70.12 110.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 3.6 mttt -61.22 177.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.24 109.295 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.64 119.21 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 44.32 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.675 HD11 HD12 ' A' ' 41' ' ' ILE . 2.2 tt -112.36 154.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.44 109.302 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' C ' HD13 ' A' ' 78' ' ' ILE . 58.2 m-85 -140.21 155.1 47.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.35 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.867 HG12 HG22 ' A' ' 61' ' ' VAL . 3.3 mm -110.41 146.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 64.44 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.9 m-85 -137.53 121.59 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 73.34 111.013 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.738 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -114.13 126.73 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 65.33 109.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m120 52.1 54.13 11.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 74.53 109.317 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t0 48.32 44.68 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 71.25 109.294 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.738 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -138.15 -173.63 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 72.32 110.38 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.618 ' N ' HG23 ' A' ' 83' ' ' THR . 0.5 OUTLIER -146.45 92.5 5.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 75.11 109.318 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.05 36.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 52.05 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.72 22.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 60.04 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.4 -22.64 41.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 71.04 110.405 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.64 -34.21 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 60.22 109.273 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -40.54 137.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 70.51 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 90' ' ' LEU . 7.0 tp -89.55 137.29 32.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 54.42 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.7 mmm -63.91 -11.18 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 73.14 110.961 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -89.95 -42.59 11.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 64.24 109.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.13 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 61.11 109.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.664 HG23 ' ND1' ' A' ' 98' ' ' HIS . 16.2 mm -67.21 -61.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.3 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.8 t80 -56.57 -23.62 41.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 64.42 110.999 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -65.81 -41.0 92.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 64.15 110.255 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -105.32 -0.78 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 71.2 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.664 ' ND1' HG23 ' A' ' 94' ' ' ILE . 43.5 m80 -112.03 -10.92 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 61.43 109.562 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.78 144.29 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 71.3 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.411 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 4.2 t70 -104.84 179.89 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 73.11 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -73.97 -15.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 72.14 109.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.84 12.51 31.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.33 109.305 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.6 -57.2 2.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 53.42 110.989 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 14' ' ' ARG . 3.7 m-85 -48.03 175.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 63.14 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.501 ' HB3' HG22 ' A' ' 31' ' ' VAL . 10.2 tp -123.08 122.43 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 72.1 109.299 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.39 118.88 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.54 111.018 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.508 HG13 ' HA ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -142.54 163.33 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 74.12 109.315 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.489 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 6.6 m -141.85 134.39 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 63.24 110.378 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.441 ' CD2' HG21 ' A' ' 64' ' ' ILE . 22.6 p90 -124.63 152.23 43.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 74.22 111.026 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -147.74 169.95 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.03 109.997 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.11 10.25 61.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 61.51 111.021 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -131.93 157.2 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 74.42 110.312 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -95.93 65.07 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.22 109.341 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.578 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 6.9 p -142.45 165.51 27.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 61.44 110.366 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -99.68 -5.94 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 73.2 110.984 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 41.41 110.991 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mmm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.488 0.185 . . . . 72.15 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -75.05 -67.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 70.11 109.316 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -86.89 150.7 23.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 75.31 109.984 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.4 p -123.4 -0.59 8.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.25 110.409 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.533 ' CZ ' ' HD2' ' A' ' 47' ' ' ARG . 7.4 m-85 -63.85 -41.75 97.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 75.3 111.01 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.63 -34.66 19.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 72.4 109.323 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.3 t -74.33 -67.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 55.13 110.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' THR . 17.7 tp10 -56.66 -49.25 75.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 73.23 110.307 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -111.79 156.89 40.91 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 75.23 111.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.05 19.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 62.23 110.977 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -78.99 -20.71 48.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 53.22 111.029 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -75.03 -50.35 16.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 74.34 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 8.9 tptm -50.35 -61.51 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 73.03 109.249 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.494 ' HD2' ' CD1' ' A' ' 5' ' ' PHE . 10.7 mmp_? -43.32 -53.92 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 75.32 110.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -56.12 -38.28 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 74.43 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -53.04 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 52.11 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.66 -46.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 62.23 110.272 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -62.7 -45.39 92.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 61.45 110.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.9 mm-40 -50.73 -27.37 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 54.54 110.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 12.0 mtp-105 -79.91 -56.3 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 71.42 110.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.591 HG21 ' HG3' ' A' ' 30' ' ' PRO . 9.3 mt -59.72 -19.25 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.4 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.44 -32.05 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.34 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -86.56 -15.1 40.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 65.04 109.286 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.32 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 55.12 110.341 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 3.3 m-85 -127.44 77.68 75.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 62.52 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 73.14 111.019 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -107.37 13.29 27.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.22 109.326 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -109.99 -177.97 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 74.23 110.288 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.561 HD11 ' HA ' ' A' ' 53' ' ' ALA . 4.1 mt -145.17 92.24 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 54.53 109.337 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.1 Cg_endo -74.98 88.8 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 64.33 110.978 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.811 HG22 ' CB ' ' A' ' 105' ' ' LEU . 3.1 t -85.79 149.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 65.3 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.58 HG23 ' HD3' ' A' ' 47' ' ' ARG . 6.7 mm -122.78 92.07 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 74.03 109.313 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.58 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 23.3 t -88.54 150.43 23.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 53.14 108.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.971 ' O ' HG23 ' A' ' 108' ' ' THR . 7.2 mt-10 -136.18 140.73 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 74.12 110.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 1.1 tmtt? -74.11 134.76 42.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 72.33 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -70.08 116.0 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 61.11 109.312 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -54.87 -46.49 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 75.35 110.253 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -56.2 -29.82 61.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 74.45 109.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.592 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -58.18 179.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 74.12 110.031 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -129.08 22.14 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 62.04 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -92.64 154.75 42.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 75.24 109.326 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.6 Cg_endo -74.94 126.5 10.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.505 1.792 . . . . 74.42 110.992 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.38 170.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 71.44 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.794 HG23 HG23 ' A' ' 68' ' ' ILE . 7.5 pt -114.45 170.86 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.21 109.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.91 -61.53 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.41 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -174.95 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 73.54 109.334 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.58 ' HD3' HG23 ' A' ' 32' ' ' ILE . 1.8 ptp85 -110.66 101.88 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 75.14 110.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -158.86 107.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 71.44 109.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 96.7 m-85 -127.77 93.75 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 61.42 111.017 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -93.61 92.31 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.701 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.98 154.61 44.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.23 109.35 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.26 14.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 64.52 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -89.67 18.88 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 62.05 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.55 -0.41 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.15 109.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.701 HD13 HG12 ' A' ' 51' ' ' VAL . 5.9 tt -90.66 156.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.41 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.502 HG22 ' CD1' ' A' ' 90' ' ' LEU . 12.2 p -110.42 161.67 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 52.3 110.405 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 61' ' ' VAL . 87.7 t -50.36 -44.93 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 73.05 109.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -61.45 1.38 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 64.34 111.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.467 ' CB ' HD11 ' A' ' 55' ' ' LEU . 17.3 mt-30 -47.21 -41.68 18.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 73.15 110.317 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.503 ' CE2' HD11 ' A' ' 64' ' ' ILE . 9.5 t80 -59.79 -35.95 75.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 64.13 110.957 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.786 HG12 HH21 ' A' ' 65' ' ' ARG . 4.7 t -70.13 -16.37 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 74.31 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -85.71 -63.27 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 74.33 111.011 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.65 HG23 HD12 ' A' ' 64' ' ' ILE . 6.2 m -44.82 -47.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 53.03 109.304 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.65 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -57.44 -64.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 74.22 109.29 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.786 HH21 HG12 ' A' ' 61' ' ' VAL . 16.3 ttm180 -44.84 -27.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.43 110.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -80.28 -43.68 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.41 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.499 ' HB3' HG21 ' A' ' 44' ' ' ILE . 9.3 mmt-85 -60.39 -26.72 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 61.43 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.794 HG23 HG23 ' A' ' 44' ' ' ILE . 1.4 pt -107.56 -8.99 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.31 109.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 7.5 ptp 40.7 51.15 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 62.44 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.722 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.3 mt -64.63 164.11 22.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.24 109.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.84 42.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 73.01 110.976 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 73.25 111.003 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -100.96 -15.01 17.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 75.31 110.354 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -94.5 179.1 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.51 109.275 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.09 112.56 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 74.32 109.275 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.659 HD12 ' CD1' ' A' ' 68' ' ' ILE . 5.3 tt -97.54 134.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 64.32 109.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 95.3 m-85 -111.82 157.77 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 73.13 110.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.602 HG13 HG22 ' A' ' 61' ' ' VAL . 2.9 mm -113.33 142.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 73.41 109.262 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 84' ' ' LEU . 1.9 m-85 -137.5 127.32 25.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 72.11 111.029 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.715 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -120.13 134.53 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.32 109.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m120 46.18 54.48 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.1 109.269 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 t70 48.85 46.54 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 64.11 109.299 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -140.59 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.23 110.39 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.638 HD12 ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -145.94 91.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 74.23 109.271 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.91 43.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.81 . . . . 71.02 110.992 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -75.0 162.53 36.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 72.02 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -74.15 -20.36 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 73.3 110.379 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.78 -29.34 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 42.05 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.481 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -45.7 137.99 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 54.23 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.502 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.2 tp -88.45 133.22 34.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 73.11 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 76.0 mmm -60.23 -14.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 72.21 110.953 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.7 p -82.0 -42.78 18.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 34.15 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.05 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.41 109.252 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.563 HG23 ' ND1' ' A' ' 98' ' ' HIS . 41.7 mm -60.31 -61.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 71.12 109.354 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.834 ' CD2' HD23 ' A' ' 105' ' ' LEU . 1.2 t80 -55.24 -29.61 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 72.3 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 72.24 110.357 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -110.88 -6.16 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 75.22 110.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.563 ' ND1' HG23 ' A' ' 94' ' ' ILE . 63.5 m80 -115.58 13.91 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 70.31 109.595 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -74.62 139.87 43.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 74.43 109.322 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -99.2 179.61 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.34 109.291 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -63.27 -61.86 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 74.31 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.88 -22.82 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 73.23 109.284 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.5 -20.3 37.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 32.51 111.016 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 32' ' ' ILE . 1.5 m-85 -58.61 170.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 64.3 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.834 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -114.42 134.98 54.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 64.12 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -106.67 105.33 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 73.32 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.482 HG11 ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.65 155.15 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 44.53 109.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.971 HG23 ' O ' ' A' ' 34' ' ' GLU . 56.7 m -155.86 135.64 12.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 73.24 110.413 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.58 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 1.8 p90 -110.12 -176.51 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 70.11 110.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.4 p -170.63 134.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 62.44 110.014 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.79 -20.65 6.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 63.1 110.961 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 113' ' ' ASN . 19.6 tp10 -106.94 160.11 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 74.33 110.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.485 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 24.1 t-20 -88.5 60.61 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 73.41 109.275 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.513 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.7 p -130.98 155.31 47.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 73.43 110.361 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -89.7 2.83 54.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 74.45 110.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 42.45 110.978 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 2.4 mmt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.475 0.179 . . . . 75.14 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -109.44 -177.67 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 71.33 109.31 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 m -73.9 149.8 41.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 61.34 109.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.5 p -94.83 -20.68 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 72.13 110.437 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -44.16 -27.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 71.13 110.967 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -64.61 -45.98 84.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 71.03 109.266 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 4' ' ' THR . 2.3 t -100.48 -63.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 63.12 109.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.9 OUTLIER -38.97 -34.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 62.22 110.237 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -126.19 93.46 43.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 63.14 111.019 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.27 18.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 64.21 110.968 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CG ' ' OD1' ' A' ' 102' ' ' ASP . 16.1 t80 -52.19 -58.94 5.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 73.22 111.003 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -42.89 -55.37 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 72.22 110.346 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -55.29 -60.83 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 73.1 109.304 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 -40.3 -43.55 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 71.44 110.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -59.41 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 70.44 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.41 -53.8 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 64.45 109.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.98 -64.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.5 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -53.69 -32.94 53.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 51.25 109.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.69 -26.76 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 72.34 110.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.8 -56.85 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 71.3 110.286 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 15.2 mt -56.04 -21.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.1 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 26' ' ' PRO . . . -84.68 -40.18 17.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 72.42 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 75.02 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.91 -47.95 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 72.43 110.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 5.7 m-85 -126.33 71.64 71.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.44 110.96 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' CB ' ' O ' ' A' ' 22' ' ' ALA . 18.3 Cg_endo -75.0 -2.47 12.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 70.35 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.78 13.26 35.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 71.52 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.9 mmm-85 -113.97 -177.75 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.14 110.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.52 HG23 ' CD2' ' A' ' 95' ' ' TYR . 7.8 mt -144.62 90.83 6.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 73.5 109.264 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.99 92.65 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 73.23 111.004 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 60' ' ' PHE . 3.6 t -85.66 135.53 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 71.32 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.478 ' O ' HG22 ' A' ' 32' ' ' ILE . 12.3 mm -113.91 92.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 73.51 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.67 155.41 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 63.51 108.246 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.042 ' O ' HG23 ' A' ' 108' ' ' THR . 6.6 mm-40 -131.17 120.5 23.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 73.02 110.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -40.47 137.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 64.24 109.299 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.986 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -103.61 108.97 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 62.13 109.339 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -42.71 -47.06 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 71.32 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -43.51 -44.52 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.41 109.308 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.54 ' OG ' HG23 ' A' ' 41' ' ' ILE . 48.4 t -48.81 169.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.5 109.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -126.93 4.71 6.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 70.23 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.793 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -78.6 163.0 63.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 64.41 109.26 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.25 25.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 71.14 111.02 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.95 164.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 51.2 110.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.718 ' CG2' HG23 ' A' ' 68' ' ' ILE . 22.7 pt -111.18 -172.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 73.14 109.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.465 ' CB ' ' HD3' ' A' ' 46' ' ' LYS . 1.3 m-20 -85.32 -52.38 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 74.31 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.64 173.73 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 74.21 109.303 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.46 102.37 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 64.02 110.321 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -150.26 110.97 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 70.31 109.279 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.497 ' CE1' HG13 ' A' ' 64' ' ' ILE . 49.7 m-85 -132.56 93.83 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 74.23 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.1 tp -98.38 95.02 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 74.43 109.287 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.638 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.36 153.54 44.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.4 109.304 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.35 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 53.34 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -89.45 18.78 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 73.11 109.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -120.15 -3.07 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.51 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD13 ' CG1' ' A' ' 51' ' ' VAL . 3.9 tt -88.62 155.54 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 75.54 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -104.32 160.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 65.44 110.444 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.545 HG22 ' SD ' ' A' ' 91' ' ' MET . 55.0 t -52.41 -51.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 64.41 109.27 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.96 -52.23 2.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 54.02 111.023 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' HB2' HD11 ' A' ' 55' ' ' LEU . 14.5 mt-30 -50.67 -53.24 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 75.35 110.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.554 ' CE2' HG11 ' A' ' 31' ' ' VAL . 28.0 t80 -45.69 -58.49 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 71.53 111.028 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.764 HG22 HG12 ' A' ' 78' ' ' ILE . 39.3 t -43.76 -31.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.14 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 2.2 t80 -79.1 -43.72 23.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.32 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -49.19 -54.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 51.34 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.512 HD11 ' CE1' ' A' ' 60' ' ' PHE . 1.8 mp -53.51 -48.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 73.33 109.321 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' MET . 9.8 ttp180 -48.51 -23.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 75.55 110.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -77.57 -43.26 32.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 72.44 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -61.96 -29.31 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 71.44 110.292 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.954 HD12 HD22 ' A' ' 70' ' ' LEU . 1.6 pt -107.79 -3.19 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 65.01 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.1 ptp 40.46 49.15 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 71.22 111.017 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -69.64 156.12 92.26 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.54 109.299 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.55 1.816 . . . . 72.13 111.024 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.1 9.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 72.12 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -95.79 -36.53 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 73.52 110.299 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.83 174.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 64.21 109.317 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.24 107.4 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 55.11 109.333 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.754 HD13 HD11 ' A' ' 68' ' ' ILE . 1.3 tt -96.6 156.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 62.14 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -137.33 136.11 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 75.05 110.936 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.764 HG12 HG22 ' A' ' 61' ' ' VAL . 4.9 mm -99.65 141.57 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 74.3 109.245 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 89.6 m-85 -127.24 111.46 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 71.31 110.979 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.734 ' O ' HG22 ' A' ' 83' ' ' THR . 30.1 t -94.81 121.45 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.54 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.5 m120 41.4 50.44 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 65.1 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.99 43.33 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 65.45 109.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -142.0 154.98 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 72.45 110.437 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -126.33 92.64 44.99 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 73.4 109.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 171.36 18.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 71.43 111.048 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.97 158.89 42.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 64.22 111.013 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -74.14 -11.67 60.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 60.5 110.411 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.64 19.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 65.02 109.334 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -46.24 138.27 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.23 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.6 tp -89.28 133.48 34.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 71.34 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.545 ' SD ' HG22 ' A' ' 57' ' ' VAL . 82.8 mmm -62.59 -12.09 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 71.24 110.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.569 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 52.5 p -82.23 -43.69 17.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 64.4 110.018 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.72 42.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 72.04 109.284 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.591 HG23 ' ND1' ' A' ' 98' ' ' HIS . 17.4 mm -67.91 -61.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 73.34 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.52 ' CD2' HG23 ' A' ' 29' ' ' ILE . 4.4 t80 -57.64 -23.69 52.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 73.43 111.035 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.11 -40.14 94.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.35 110.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.27 -0.71 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 71.22 110.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.591 ' ND1' HG23 ' A' ' 94' ' ' ILE . 42.2 m80 -112.81 -7.89 13.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.44 109.587 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -53.6 135.82 39.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 61.5 109.318 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.464 ' CG ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -80.31 -179.99 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 64.44 109.347 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -82.05 -3.29 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.22 109.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.496 ' OD1' ' CG ' ' A' ' 11' ' ' PHE . 3.8 t0 -110.24 6.31 22.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 64.42 109.323 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.57 -64.4 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 41.24 111.018 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -45.95 172.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 75.53 111.003 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.516 HD22 ' HD2' ' A' ' 95' ' ' TYR . 8.7 tp -115.61 125.28 52.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.11 109.279 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.464 ' CD1' ' CG ' ' A' ' 100' ' ' ASP . 7.5 m-85 -94.3 113.8 25.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 43.42 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 78' ' ' ILE . 1.5 p -143.87 164.55 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 64.25 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 1.042 HG23 ' O ' ' A' ' 34' ' ' GLU . 85.9 m -141.01 133.29 28.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 65.04 110.434 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.793 ' HE1' HD11 ' A' ' 41' ' ' ILE . 4.2 p90 -109.64 144.03 38.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 63.44 110.955 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 39' ' ' SER . 79.9 p -147.03 143.86 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 71.22 110.021 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.423 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -66.17 -16.83 65.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 51.1 111.008 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.448 ' HG3' HG23 ' A' ' 114' ' ' THR . 15.2 tp10 -108.53 160.27 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 73.23 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 13.2 t-20 -90.34 64.8 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 73.23 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.573 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.9 p -108.31 130.08 55.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 74.15 110.344 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -101.71 -1.46 32.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 74.23 111.016 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 52.01 110.982 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.474 0.178 . . . . 73.21 111.035 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -52.25 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.12 109.312 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 p -95.52 90.48 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 74.12 110.044 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.0 p -63.17 -29.61 70.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 73.23 110.401 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.56 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 74.21 110.989 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' THR . 1.2 tmtm? -71.8 -54.3 10.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.54 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' THR . 3.1 m -81.66 -64.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 70.12 109.982 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 4' ' ' THR . 5.6 tt0 -37.96 -52.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 61.44 110.315 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' LYS . 7.5 m-85 -121.14 159.54 49.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 72.34 111.009 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.28 18.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 62.44 110.997 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.34 -44.38 52.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 75.25 111.012 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.28 -19.22 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 74.4 110.268 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -60.28 -67.3 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 44.3 109.253 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CD ' ' OH ' ' A' ' 106' ' ' TYR . 4.7 ptp85 -50.36 -28.74 8.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.22 110.266 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 71.14 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -71.53 -58.53 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.15 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -39.02 -56.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.21 110.328 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 52.3 p -50.32 -42.73 53.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.31 109.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ALA . 5.0 mm-40 -63.0 -26.75 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 35.51 110.252 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -78.97 -53.59 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 51.45 110.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 23.6 mt -56.86 -18.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 63.02 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.19 -39.99 18.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 64.15 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.25 -34.77 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 51.3 109.261 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.47 -51.41 5.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 74.23 110.266 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.3 m-85 -125.83 71.95 68.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 72.14 111.018 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.5 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.9 -5.32 16.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 72.35 111.02 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -93.94 -5.52 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 74.1 109.281 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.1 mpt_? -96.49 -177.85 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 64.51 110.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.4 mt -146.02 91.64 5.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 44.14 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 74.25 111.026 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.805 HG22 ' CB ' ' A' ' 105' ' ' LEU . 14.0 t -104.0 139.33 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 60.54 109.322 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -103.02 92.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.44 109.323 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.4 t -81.29 126.19 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.01 108.328 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.918 ' O ' HG23 ' A' ' 108' ' ' THR . 26.6 mt-10 -118.89 118.81 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 54.03 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.489 ' CG ' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -63.34 150.45 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 73.04 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.75 115.66 28.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 60.12 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -49.82 -50.14 46.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 63.12 110.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -41.81 -32.33 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 51.33 109.273 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.519 ' OG ' HG23 ' A' ' 41' ' ' ILE . 6.6 t -59.41 -179.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 54.42 109.984 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -125.89 4.88 7.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 73.14 109.258 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.569 HD12 HD11 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -76.88 154.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 64.34 109.282 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 121.83 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 72.45 111.044 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -57.29 170.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.03 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.678 HG21 ' HB3' ' A' ' 67' ' ' ARG . 4.1 pt -109.21 170.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 70.23 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.92 -56.55 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.05 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -138.37 158.16 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 72.54 109.319 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.2 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 74.33 110.344 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -158.8 123.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 73.44 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 37.4 m-85 -136.5 104.59 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.14 111.018 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.6 tp -99.71 95.6 7.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 65.4 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.56 153.7 43.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 74.34 109.299 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.51 14.38 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.476 1.777 . . . . 75.53 111.05 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.84 18.47 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 54.2 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.36 -1.8 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 74.24 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 59' ' ' GLN . 6.4 tt -94.48 156.15 16.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 62.53 109.251 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.714 HG22 ' CD1' ' A' ' 90' ' ' LEU . 14.7 p -115.27 167.91 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 71.23 110.394 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.14 -43.68 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.23 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.473 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.12 -61.1 1.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 62.21 111.022 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.615 ' HB2' HD11 ' A' ' 55' ' ' LEU . 10.5 mt-30 -52.13 -44.28 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 70.11 110.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.85 -48.97 59.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.31 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.512 HG22 ' CG1' ' A' ' 78' ' ' ILE . 21.2 t -60.18 -21.93 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 44.34 109.266 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -82.71 -35.56 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 72.31 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 5.6 t -60.69 -57.9 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 63.42 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.677 HG22 HD11 ' A' ' 68' ' ' ILE . 2.9 mp -49.84 -55.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 61.32 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.5 ttp85 -42.01 -32.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 73.31 110.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -81.17 -43.47 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 73.3 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -60.24 -26.27 66.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.2 110.266 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.153 HD12 HD22 ' A' ' 70' ' ' LEU . 1.1 pt -113.79 -4.63 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 65.03 109.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.8 ptp 40.69 51.56 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 63.12 110.968 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.153 HD22 HD12 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -75.92 154.15 84.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 71.5 109.268 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.85 21.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 74.13 110.968 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.02 9.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 62.34 111.03 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -95.62 -30.2 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 74.02 110.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 168.25 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 75.45 109.351 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.71 107.27 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 73.22 109.314 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.607 HD13 HD11 ' A' ' 68' ' ' ILE . 3.4 tt -109.99 149.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 55.22 109.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -142.66 141.98 31.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 75.14 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.512 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.0 mm -97.64 156.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 62.15 109.277 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 1.064 ' CE2' HD12 ' A' ' 84' ' ' LEU . 43.5 m-85 -145.27 146.86 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.02 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.746 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -137.25 129.62 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 71.05 109.284 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' A' ' 98' ' ' HIS . 6.9 m120 54.82 40.65 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 52.11 109.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 63.17 39.09 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.41 109.248 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -133.85 -173.73 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 74.13 110.372 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.064 HD12 ' CE2' ' A' ' 79' ' ' PHE . 2.5 tt -140.53 95.47 8.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 73.2 109.34 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.449 ' HG3' HG13 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.99 158.64 42.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 64.22 110.98 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.41 14.56 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 71.01 111.014 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.473 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -84.68 -19.46 32.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 71.45 110.423 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.95 -34.12 44.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 51.52 109.274 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.75 139.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 73.31 109.274 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.714 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.4 tp -91.84 138.62 31.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 71.41 109.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.8 mmm -64.27 -12.6 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 74.04 110.978 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -89.0 -42.54 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.22 110.011 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.47 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 61.22 109.241 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.638 HG23 ' ND1' ' A' ' 98' ' ' HIS . 13.7 mm -66.82 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 71.21 109.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.645 ' HB2' HD22 ' A' ' 105' ' ' LEU . 2.4 t80 -56.5 -25.6 51.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 70.31 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.84 -41.29 99.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 62.32 110.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -106.21 -0.72 24.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 70.55 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.638 ' ND1' HG23 ' A' ' 94' ' ' ILE . 46.1 m80 -113.69 -1.42 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 61.14 109.599 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.85 137.89 58.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 74.14 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.32 -179.98 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 74.51 109.301 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.6 -31.39 71.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 74.41 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -27.09 58.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.22 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.6 -48.77 0.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 71.44 110.989 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.625 ' CD1' HD13 ' A' ' 32' ' ' ILE . 3.6 m-85 -50.7 177.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 71.51 111.021 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.805 ' CB ' HG22 ' A' ' 31' ' ' VAL . 8.2 tp -120.98 125.84 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 73.24 109.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.407 ' OH ' ' CD ' ' A' ' 14' ' ' ARG . 25.0 m-85 -98.8 99.63 10.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 73.42 111.015 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -122.88 163.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 60.13 109.29 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 34' ' ' GLU . 45.1 m -150.08 142.13 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 74.42 110.372 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 35' ' ' LYS . 13.9 p90 -129.97 170.87 13.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 73.23 111.002 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.4 t -164.37 170.27 16.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 71.25 110.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -78.63 3.0 65.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 72.4 110.998 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -122.36 156.57 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 75.1 110.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -91.54 46.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 74.12 109.304 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.577 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 3.0 p -121.12 154.79 35.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 71.03 110.424 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 83' ' ' THR . 53.4 m-85 -82.58 4.63 23.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 75.54 110.979 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 75.54 111.04 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.5 0.19 . . . . 55.12 111.037 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -111.66 -175.8 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.12 109.306 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -79.75 116.62 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 73.34 109.995 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.4 p -58.79 -31.37 68.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 65.31 110.406 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -52.61 -22.9 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 71.24 110.955 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -67.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 73.35 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 t -89.2 -51.77 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 64.02 110.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 4' ' ' THR . 5.6 tm-20 -40.06 -43.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 74.14 110.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -122.39 155.91 61.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 65.32 110.988 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 170.76 19.71 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.452 1.764 . . . . 73.04 110.946 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 102' ' ' ASP . 4.4 t80 -84.49 -34.58 23.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 73.03 110.96 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.24 -19.5 65.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 65.53 110.291 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -63.71 -65.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 73.12 109.292 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -49.95 -31.14 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 74.32 110.288 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -77.46 -29.61 52.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 74.54 109.322 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -76.72 -62.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 71.32 109.316 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -39.83 -41.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 73.03 110.348 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ILE . 2.8 p -59.87 -49.49 77.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.43 109.985 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.5 mm-40 -45.74 -34.02 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 72.5 110.253 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -78.61 -35.82 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 70.53 110.251 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' SER . 19.3 mt -71.14 -19.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 75.34 109.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 -35.31 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.42 109.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -71.0 -43.4 68.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 63.41 109.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 25' ' ' PHE . 13.6 tpt180 -78.05 -55.14 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 71.53 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.617 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -118.49 78.95 15.22 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 71.31 111.002 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.435 1.755 . . . . 62.32 110.98 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -126.51 46.86 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.11 109.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 28.6 mmt-85 -132.38 175.9 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 73.01 110.251 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.568 HD11 ' HA ' ' A' ' 53' ' ' ALA . 2.3 mt -142.13 90.61 8.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 74.53 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HB3' HD21 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 51.31 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 2.6 t -85.78 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 72.01 109.3 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.619 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -114.38 91.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 51.52 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.735 ' HB2' HG13 ' A' ' 107' ' ' VAL . 49.7 t -95.1 157.17 16.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 72.13 108.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.925 ' O ' HG23 ' A' ' 108' ' ' THR . 82.2 mt-10 -141.82 119.11 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 54.52 110.288 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.62 ' HG2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -48.32 143.31 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 73.33 109.3 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -76.34 127.49 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.23 109.279 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.23 -27.37 67.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 71.04 110.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -73.66 -30.11 62.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 75.32 109.244 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 1.3 t -55.04 174.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 75.44 110.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.95 15.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 73.31 109.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' HG2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -89.59 155.47 48.3 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 74.44 109.329 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.27 25.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 65.25 111.054 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -60.62 160.42 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 71.11 110.298 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.697 ' CG2' HG23 ' A' ' 68' ' ' ILE . 9.3 pt -98.4 -174.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 64.41 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -54.24 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 75.21 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.623 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -149.76 -177.56 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 71.55 109.316 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.44 101.68 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 75.5 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 13.0 ttpt -158.99 115.25 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 74.45 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 98.4 m-85 -128.84 93.75 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 72.34 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 30' ' ' PRO . 11.6 mt -98.41 92.79 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 54.41 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.574 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.38 154.34 43.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 65.13 109.29 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.16 14.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.748 . . . . 62.11 111.002 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -89.91 19.12 5.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 62.24 109.257 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -120.83 -2.25 9.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 62.44 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD13 HG12 ' A' ' 51' ' ' VAL . 6.9 tt -89.18 156.7 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.4 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.472 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 14.0 p -111.71 162.76 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 74.54 110.419 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.62 -46.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 74.23 109.253 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -63.19 1.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 61.42 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -43.85 -52.31 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 64.01 110.287 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 13.6 t80 -44.69 -60.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 65.34 110.997 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.838 HG22 HG12 ' A' ' 78' ' ' ILE . 62.1 t -40.56 -33.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 53.13 109.285 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -82.47 -42.98 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.13 111.021 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.8 t -48.69 -44.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 71.21 109.277 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 64' ' ' ILE . 1.8 mp -65.21 -52.38 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 71.52 109.29 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 3.2 tmm_? -46.47 -24.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 73.33 110.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -79.02 -44.17 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 71.21 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HB3' HG21 ' A' ' 44' ' ' ILE . 4.6 mmp_? -58.41 -29.77 66.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 62.32 110.313 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.937 HD12 HD22 ' A' ' 70' ' ' LEU . 3.1 pt -107.57 -9.6 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 73.25 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 18.3 ptp 40.99 49.33 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 74.21 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.937 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -65.64 164.25 27.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 72.53 109.342 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.72 26.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 75.14 111.007 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 70.35 110.996 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.52 -39.37 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.41 110.314 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 16.5 mttp -62.64 176.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.4 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.62 106.43 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 42.53 109.268 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.582 HD12 ' CD1' ' A' ' 68' ' ' ILE . 5.9 tt -102.58 148.99 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 73.12 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.54 151.16 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 62.44 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.838 HG12 HG22 ' A' ' 61' ' ' VAL . 2.8 mm -107.81 139.76 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 74.13 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.654 ' CE2' HD13 ' A' ' 84' ' ' LEU . 2.9 m-85 -132.03 124.81 30.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.53 111.065 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.651 ' O ' HG22 ' A' ' 83' ' ' THR . 1.4 p -106.26 131.94 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 65.41 109.266 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 m120 45.6 62.61 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 62.2 109.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 42.34 44.86 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 71.1 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.7 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -144.63 -173.68 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.01 110.396 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.7 ' N ' HG23 ' A' ' 83' ' ' THR . 1.1 tp -148.32 97.66 3.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 43.32 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.25 111.012 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.97 163.46 35.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 61.23 110.981 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 t -79.72 -5.92 56.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 63.42 110.362 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.74 -31.33 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 55.04 109.289 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -41.52 139.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.33 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.4 tp -89.41 132.46 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 70.33 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -61.58 -15.72 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 72.13 110.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.514 ' HA ' HD13 ' A' ' 29' ' ' ILE . 78.4 p -85.37 -39.72 17.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 54.24 110.035 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.76 62.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 74.41 109.286 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.562 HG23 ' CD2' ' A' ' 98' ' ' HIS . 16.9 mm -68.77 -61.37 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 73.34 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.2 t80 -55.95 -23.72 33.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 71.14 111.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.09 -41.46 90.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 64.41 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -103.53 -4.08 24.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.4 110.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.562 ' CD2' HG23 ' A' ' 94' ' ' ILE . 50.2 m-70 -108.21 -11.81 15.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 62.3 109.622 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -47.94 143.44 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.31 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.71 179.97 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.32 109.266 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -74.64 -28.12 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 65.3 109.328 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -78.52 -28.37 46.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 60.22 109.288 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.67 -63.65 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 74.14 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.619 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.8 m-85 -48.25 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 73.41 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.454 HD22 ' HB2' ' A' ' 95' ' ' TYR . 9.5 tp -115.22 163.03 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 64.32 109.265 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -127.7 114.65 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 71.24 111.001 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.735 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -139.25 158.98 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 64.31 109.315 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.925 HG23 ' O ' ' A' ' 34' ' ' GLU . 24.2 m -148.65 135.79 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.32 110.37 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.575 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 3.8 p90 -124.74 168.92 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 74.01 111.053 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.0 p -156.91 160.24 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 70.13 110.003 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.13 -8.1 47.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 72.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -116.1 156.47 26.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.786 . . . . 71.4 110.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -89.25 45.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 70.24 109.304 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p -122.4 174.61 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.32 110.423 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -105.73 2.07 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 75.31 110.984 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.122 . . . . 65.14 110.963 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.514 0.197 . . . . 72.3 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.478 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 1.1 mptp? -72.31 -78.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 71.11 109.309 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -130.59 161.91 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 61.41 109.97 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.1 p -112.99 -18.99 12.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 62.43 110.394 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -61.52 -26.57 68.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 53.52 111.003 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.515 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 29.0 ttmt -69.11 -57.61 5.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 65.41 109.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 p -80.93 -66.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 72.34 110.003 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 4' ' ' THR . 17.0 tp10 -38.53 -52.94 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 74.51 110.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CE1' ' HE3' ' A' ' 13' ' ' LYS . 1.1 m-85 -109.19 148.82 38.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 64.12 111.005 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.18 18.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 63.43 111.02 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 102' ' ' ASP . 1.3 t80 -66.89 -54.58 20.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 73.11 110.98 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -46.99 -46.68 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 75.44 110.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.826 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 8.8 tmtt? -42.51 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 71.33 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 0.3 OUTLIER -49.87 -63.79 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 74.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 11' ' ' PHE . 37.3 tttt -40.26 -31.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 63.34 109.322 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.826 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -62.83 -57.99 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 45.23 109.276 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -40.88 -34.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.03 110.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.86 -48.29 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 53.35 110.015 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 35.2 mm-40 -50.31 -37.4 36.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 73.13 110.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -78.66 -38.01 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 55.54 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.2 mt -68.7 -21.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 73.12 109.33 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.36 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 71.41 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.08 -18.75 49.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 71.13 109.322 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HG2' ' CZ ' ' A' ' 25' ' ' PHE . 15.8 tpt180 -108.23 -61.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 73.02 110.306 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.55 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 2.3 m-85 -124.7 75.77 64.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.41 111.005 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 63.55 111.041 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -102.77 12.12 36.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 63.45 109.295 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.4 mpt_? -104.0 178.09 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 74.3 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.0 mt -147.78 91.07 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 61.23 109.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.99 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 73.44 111.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.622 HG22 ' HB3' ' A' ' 105' ' ' LEU . 3.8 t -85.72 138.59 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 74.14 109.307 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -111.48 96.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 74.13 109.31 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.73 152.17 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 62.14 108.322 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.016 ' O ' HG23 ' A' ' 108' ' ' THR . 9.7 mp0 -131.26 120.1 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.5 110.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.582 ' H ' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -40.29 139.32 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 73.54 109.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.061 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -102.51 110.89 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 51.52 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.83 -42.11 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.41 110.258 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -48.28 -36.78 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.02 109.322 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.34 148.11 51.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 62.52 109.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.77 13.67 33.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 44.44 109.238 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.88 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.8 OUTLIER -82.66 162.75 54.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 60.23 109.273 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 144.15 29.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.439 1.758 . . . . 74.22 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.92 170.92 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 62.1 110.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.732 HG23 HG23 ' A' ' 68' ' ' ILE . 3.4 pt -114.24 172.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 75.44 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -49.75 15.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 65.45 109.299 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -150.75 158.16 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.31 109.313 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.584 HH21 ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -115.83 104.38 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.45 110.267 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -158.67 114.37 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.22 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.8 m-85 -134.12 116.07 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 64.22 110.998 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 4.6 mt -104.49 97.63 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 74.32 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.825 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 153.46 43.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.41 109.251 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.38 14.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 63.35 110.972 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -88.9 18.13 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 63.24 109.262 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -124.53 1.96 8.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.54 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 51' ' ' VAL . 2.4 tt -95.23 155.2 16.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 63.21 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -101.44 160.41 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 65.14 110.383 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.455 HG22 ' SD ' ' A' ' 91' ' ' MET . 84.3 t -52.57 -45.59 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 65.41 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.38 -56.47 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 74.24 111.021 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.641 ' HB2' HD11 ' A' ' 55' ' ' LEU . 4.7 mt-30 -48.56 -40.17 26.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 64.51 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CZ ' ' CG1' ' A' ' 31' ' ' VAL . 3.5 t80 -64.18 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.02 110.982 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.716 HG22 ' CG1' ' A' ' 78' ' ' ILE . 16.6 t -74.31 -16.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 62.22 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.06 -63.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 72.43 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 64' ' ' ILE . 27.0 m -43.43 -55.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 71.24 109.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.536 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -48.99 -55.16 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 62.3 109.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.2 tpp85 -45.27 -27.94 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 73.24 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.72 -42.67 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 60.04 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.517 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.4 mmt-85 -60.74 -25.34 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 53.42 110.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.76 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.5 pt -112.64 -6.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 62.45 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.8 ptp 41.46 48.95 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 72.12 110.976 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.76 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.1 mt -65.4 164.19 26.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 50.1 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.28 42.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 61.11 110.979 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.21 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 72.02 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -101.61 -15.06 17.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 62.12 110.302 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -93.88 177.13 6.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 72.4 109.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.51 120.85 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 72.03 109.275 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.2 tt -95.54 143.89 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 71.12 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -116.63 147.92 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 63.51 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.716 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.8 mm -108.57 135.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 72.35 109.29 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.722 ' CD2' HD12 ' A' ' 84' ' ' LEU . 3.1 m-85 -126.92 124.75 40.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 72.42 111.019 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -119.39 136.85 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.42 109.289 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 m120 44.71 53.97 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.33 109.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 48.81 45.64 22.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.12 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -138.64 -173.62 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.43 110.392 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.722 HD12 ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -143.31 91.4 6.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 64.31 109.27 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.13 43.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.79 . . . . 75.22 111.024 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.98 159.99 40.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 62.21 111.056 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -75.04 -8.2 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 71.21 110.434 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.53 -24.45 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 72.2 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.55 137.3 15.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 73.53 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -86.16 136.47 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 72.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.455 ' SD ' HG22 ' A' ' 57' ' ' VAL . 85.4 mmm -65.95 -9.2 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 75.25 111.024 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.591 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 60.7 p -88.14 -41.63 12.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 65.3 110.017 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.76 -33.22 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 71.53 109.257 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.636 HD11 ' HB1' ' A' ' 89' ' ' ALA . 13.8 mm -66.67 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.44 109.283 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.649 ' HB2' HD22 ' A' ' 105' ' ' LEU . 1.9 t80 -59.58 -25.51 64.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 72.43 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -63.03 -37.06 85.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 65.31 110.267 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -108.16 -7.69 15.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 64.1 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.556 ' CB ' HD11 ' A' ' 105' ' ' LEU . 44.3 m80 -106.7 3.25 26.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 74.42 109.582 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -71.08 130.99 42.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 65.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -100.52 -179.98 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 73.31 109.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -56.45 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 72.12 109.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 11' ' ' PHE . 27.7 m-20 -40.48 -48.04 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 73.54 109.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -37.39 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 72.02 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -67.32 170.59 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 64.4 111.031 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 95' ' ' TYR . 7.2 tp -107.96 126.12 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 75.12 109.273 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -96.92 108.61 21.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 73.51 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -136.84 163.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 53.1 109.327 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 1.061 HG22 ' HB2' ' A' ' 36' ' ' ALA . 29.5 m -144.59 134.74 24.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 74.24 110.415 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.88 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.6 p90 -105.07 146.92 28.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.44 111.033 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.7 p -151.74 122.6 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 72.31 109.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -44.52 -32.97 3.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 64.11 111.001 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -92.88 163.36 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 63.4 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.445 ' OD1' ' CZ ' ' A' ' 115' ' ' PHE . 18.7 t-20 -90.71 45.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 65.45 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.4 p -93.9 129.99 40.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.35 110.386 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.476 ' CE2' HD13 ' A' ' 84' ' ' LEU . 11.9 m-85 -96.72 -0.05 48.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 74.54 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.159 . . . . 71.4 110.995 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mmm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.488 0.185 . . . . 74.14 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.557 ' HB3' ' HZ1' ' A' ' 6' ' ' LYS . 24.4 mtmm -70.15 -177.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 75.54 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -69.9 132.06 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 70.23 109.995 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 81.6 p -86.95 -18.83 29.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 74.33 110.404 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -74.45 -43.47 56.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 74.33 110.993 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.557 ' HZ1' ' HB3' ' A' ' 2' ' ' LYS . 1.2 pptp? -83.18 -19.95 35.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 74.41 109.27 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -95.59 -67.5 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 72.22 110.0 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 4' ' ' THR . 9.9 tt0 -60.34 -48.01 83.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 74.24 110.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' CD2' ' HG2' ' A' ' 13' ' ' LYS . 3.3 m-30 -102.93 165.29 13.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 74.51 110.999 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.63 ' HD2' ' HZ2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.05 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.53 1.805 . . . . 74.44 111.001 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -77.71 -31.21 52.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 70.54 110.994 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -71.23 -17.7 62.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 74.31 110.321 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.63 ' HZ2' ' HD2' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -67.19 -70.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 72.21 109.244 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -52.01 -24.14 6.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 75.11 110.345 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 14' ' ' ARG . 16.8 tttp -81.55 -32.14 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 70.25 109.304 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.47 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 63.01 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -53.94 49.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 75.53 110.34 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -54.09 -32.4 54.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 70.31 110.035 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 72.32 110.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' ASP . 65.9 mtp180 -78.62 -59.94 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 72.33 110.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.64 HD13 HD21 ' A' ' 50' ' ' LEU . 11.5 mt -51.42 -22.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 71.33 109.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.74 -34.2 21.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 72.23 109.247 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 6.1 t70 -72.87 -29.75 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.23 109.257 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.6 -52.3 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 64.54 110.259 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.5 m-85 -129.55 79.52 73.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 72.21 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -0.31 9.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 75.23 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -102.63 18.72 20.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 61.32 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -119.13 179.15 4.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.31 110.325 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' VAL . 4.0 mt -144.29 93.37 5.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 71.22 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.544 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 92.77 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 61.22 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 105' ' ' LEU . 43.4 t -89.98 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 62.33 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 47' ' ' ARG . 5.9 mm -116.46 91.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 61.51 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.1 t -70.24 157.33 37.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 52.21 108.269 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.825 ' O ' HG23 ' A' ' 108' ' ' THR . 29.3 mm-40 -151.81 124.55 8.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 73.35 110.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.92 138.25 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 74.14 109.253 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.34 118.07 17.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 70.21 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.15 -40.92 67.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 61.23 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -55.62 -49.36 73.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 70.12 109.247 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -48.72 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 64.11 109.992 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -131.85 24.13 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 63.33 109.311 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.928 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -80.92 162.93 58.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 50.14 109.285 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.672 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 70.12 110.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 171.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 71.13 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.622 HG23 HG23 ' A' ' 68' ' ' ILE . 3.9 pt -117.39 175.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 50.12 109.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.14 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.24 109.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -153.5 -168.58 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 71.43 109.342 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 5.3 ptt180 -114.93 101.4 8.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 61.41 110.269 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -159.36 106.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.1 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -142.29 100.95 3.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.44 111.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.64 HD21 HD13 ' A' ' 21' ' ' ILE . 11.9 mt -78.78 92.22 4.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 72.31 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.1 HG13 HD22 ' A' ' 55' ' ' LEU . 3.8 t -90.21 126.65 56.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 74.41 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.0 173.02 15.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.439 1.758 . . . . 74.3 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.57 7.86 18.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.44 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -110.95 -20.04 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 75.02 109.266 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.1 HD22 HG13 ' A' ' 51' ' ' VAL . 2.0 tt -77.97 155.24 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 75.25 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 55' ' ' LEU . 11.2 p -115.53 173.19 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 75.5 110.425 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 61' ' ' VAL . 77.4 t -57.54 -53.56 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 52.24 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.34 -62.19 1.9 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 64.23 110.968 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -45.66 -44.76 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 71.04 110.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.613 ' CE1' HG21 ' A' ' 51' ' ' VAL . 4.7 t80 -56.71 -35.24 68.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 71.34 110.987 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.84 HG22 HG13 ' A' ' 78' ' ' ILE . 3.2 t -71.78 -16.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 74.51 109.354 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.14 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 72.33 111.058 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 64' ' ' ILE . 27.7 m -44.29 -54.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 75.22 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.531 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -48.24 -57.95 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.12 109.285 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.471 HH21 HG22 ' A' ' 76' ' ' ILE . 13.5 ttm180 -42.5 -27.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 75.44 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -78.44 -47.45 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 74.51 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.506 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -57.14 -26.87 61.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.45 110.299 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.961 HD12 HD12 ' A' ' 70' ' ' LEU . 1.5 pt -107.16 -13.26 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 73.23 109.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.474 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.4 ptp 41.4 49.28 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.13 110.966 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.961 HD12 HD12 ' A' ' 68' ' ' ILE . 9.0 mt -64.66 164.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 71.03 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.84 41.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 72.3 110.969 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.91 11.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 73.51 111.002 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -99.16 -13.21 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 53.14 110.325 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -96.85 165.98 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.1 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.46 106.19 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 31.24 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.695 HD12 ' CD1' ' A' ' 68' ' ' ILE . 7.0 tt -91.14 143.86 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 61.55 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 109' ' ' TYR . 91.4 m-85 -118.47 162.74 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.23 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.84 HG13 HG22 ' A' ' 61' ' ' VAL . 11.2 mm -119.16 128.07 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 73.13 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.835 ' CE2' HD13 ' A' ' 84' ' ' LEU . 79.8 m-85 -120.24 135.73 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 61.34 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 83' ' ' THR . 1.6 p -133.84 138.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 74.12 109.351 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 51.78 29.3 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 71.13 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 67.99 34.75 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 73.54 109.332 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -135.11 -173.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.32 110.439 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.835 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -144.68 93.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 63.12 109.322 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.44 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.0 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 73.14 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.94 170.49 20.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 73.31 111.045 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.02 -19.79 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 62.52 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.89 -27.61 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.21 109.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -42.25 127.9 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 72.22 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -78.24 127.49 32.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 72.02 109.29 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.568 ' HG3' HG11 ' A' ' 51' ' ' VAL . 87.5 mmm -55.89 -17.06 5.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.41 111.043 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.1 p -77.05 -46.8 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 73.01 109.962 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -26.92 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 61.34 109.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.792 HD11 ' HB1' ' A' ' 89' ' ' ALA . 22.6 mm -70.9 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 74.42 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.502 ' HB2' HD22 ' A' ' 105' ' ' LEU . 41.2 t80 -60.31 -17.34 42.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 63.41 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.75 -38.82 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 73.32 110.271 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -103.03 -3.0 26.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 71.43 110.357 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.779 ' CD2' HG23 ' A' ' 94' ' ' ILE . 60.9 m-70 -105.81 -31.15 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 74.5 109.601 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -40.4 135.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.21 109.271 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -103.08 179.94 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 74.11 109.308 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -66.73 -16.72 64.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 60.14 109.29 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.21 -17.79 36.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.22 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.94 -58.16 1.23 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 53.35 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.481 ' CD1' HG12 ' A' ' 32' ' ' ILE . 2.3 m-85 -49.37 175.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 64.53 110.962 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.598 ' HB3' HG22 ' A' ' 31' ' ' VAL . 8.3 tp -119.46 127.1 52.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 62.22 109.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 23.3 m-85 -98.87 118.59 35.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 70.55 111.025 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -142.66 154.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.34 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 34' ' ' GLU . 5.1 m -150.48 135.94 18.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 72.33 110.412 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.928 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.6 p90 -109.64 173.09 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 71.42 111.002 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 112' ' ' GLU . 65.7 p -160.42 124.12 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 54.43 109.978 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.509 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -41.12 -27.82 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 64.11 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 110' ' ' SER . 10.4 tt0 -113.91 157.02 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 71.12 110.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.418 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 5.3 t-20 -85.38 63.29 8.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 65.25 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.5 p -106.94 137.24 45.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 71.33 110.427 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -100.3 3.12 43.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 73.45 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 65.2 110.957 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.462 0.172 . . . . 75.42 111.014 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -86.06 -64.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 75.23 109.293 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 7' ' ' SER . 95.6 p -109.74 164.48 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 70.33 110.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.16 -4.4 9.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 64.44 110.426 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' TYR . 4.3 m-85 -63.99 -78.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 75.12 110.969 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.13 -6.57 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 63.5 109.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 3' ' ' SER . 0.8 OUTLIER -79.71 -67.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 74.23 110.007 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -88.65 -44.19 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 71.5 110.283 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' PHE . 1.2 m-85 -91.15 169.87 10.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 74.14 110.995 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 171.18 18.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 65.11 111.018 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 12' ' ' GLU . 7.8 p90 -85.65 -25.96 26.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 74.34 110.982 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 11' ' ' PHE . 3.3 mt-10 -67.45 -19.43 65.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 75.13 110.313 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -60.31 -57.74 11.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 64.05 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -59.71 -32.05 70.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 75.24 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -73.2 -27.96 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 74.32 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -77.58 -63.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 75.44 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -43.15 -38.23 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.14 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 p -64.62 -42.82 95.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 71.34 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' ALA . 29.0 mm-40 -53.36 -28.1 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 71.43 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -78.9 -39.57 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 54.22 110.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 30' ' ' PRO . 11.9 mt -76.59 -19.64 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 72.33 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.45 -28.37 31.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 64.25 109.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.02 -15.46 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 71.42 109.308 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 19.9 tpt180 -97.31 -62.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.24 110.263 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 3.9 m-85 -124.15 76.87 60.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 72.51 110.975 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.03 9.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 71.31 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -101.48 -6.4 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 73.4 109.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 16.2 mmt180 -92.86 -177.83 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 55.05 110.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.593 HD11 ' HA ' ' A' ' 53' ' ' ALA . 5.0 mt -145.55 93.14 5.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.11 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.629 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.97 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 75.21 111.028 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' CG1' ' CZ ' ' A' ' 60' ' ' PHE . 25.6 t -85.7 135.57 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 65.22 109.353 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.605 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.2 mm -111.18 91.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 73.53 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -72.22 157.34 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 32.1 108.306 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.854 ' O ' HG23 ' A' ' 108' ' ' THR . 20.0 mt-10 -136.44 118.64 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.22 110.315 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 39' ' ' SER . 1.4 tmtt? -47.89 141.06 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 61.4 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.846 ' HB2' ' CG2' ' A' ' 108' ' ' THR . . . -101.25 117.02 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 53.4 109.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.42 -53.79 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 71.42 110.34 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -44.21 -40.22 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 71.23 109.331 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 2.3 t -49.01 158.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 43.11 110.038 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.54 14.16 21.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 71.24 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.818 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -93.46 161.47 30.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 71.2 109.32 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.94 35.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.44 1.758 . . . . 71.23 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.42 169.96 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 73.12 110.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 68' ' ' ILE . 4.6 pt -113.17 173.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 71.13 109.316 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -73.98 -51.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 64.44 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 179.78 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 55.52 109.322 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' O ' HD13 ' A' ' 32' ' ' ILE . 3.2 ptp85 -129.76 101.48 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.31 110.259 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' C ' ' CD ' ' A' ' 48' ' ' LYS . 1.9 tmtt? -153.01 132.98 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 74.1 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 33' ' ' CYS . 50.9 m-85 -150.89 94.44 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 63.34 111.031 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -91.46 92.37 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 61.2 109.349 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.918 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.15 153.78 43.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 75.3 109.341 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.65 14.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 61.03 110.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -88.42 17.31 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 74.13 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -124.53 1.93 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 74.14 109.364 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.918 HD13 HG12 ' A' ' 51' ' ' VAL . 3.9 tt -93.95 155.41 17.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 75.33 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -103.94 161.43 13.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 63.15 110.432 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.625 HG22 ' SD ' ' A' ' 91' ' ' MET . 91.8 t -53.11 -41.95 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 54.15 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.27 -59.21 2.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 61.25 111.008 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.591 ' CB ' HD11 ' A' ' 55' ' ' LEU . 6.5 mt-30 -49.52 -32.63 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 73.33 110.288 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.529 ' CE1' ' CB ' ' A' ' 49' ' ' TYR . 4.0 t80 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 64.12 111.003 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.7 HG22 ' CG1' ' A' ' 78' ' ' ILE . 18.5 t -71.93 -16.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 71.14 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -63.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 72.45 110.999 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.573 HG23 HD12 ' A' ' 64' ' ' ILE . 6.9 m -45.19 -49.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 71.1 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.573 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -55.03 -64.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.25 109.313 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.464 ' N ' HG22 ' A' ' 64' ' ' ILE . 36.8 ttp180 -41.2 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 73.3 110.285 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -78.83 -49.08 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 75.32 109.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.0 mmt-85 -49.22 -22.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 63.35 110.253 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.03 HD12 HD22 ' A' ' 70' ' ' LEU . 1.2 pt -106.88 -23.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 72.3 109.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER 73.68 29.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.21 110.996 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.03 HD22 HD12 ' A' ' 68' ' ' ILE . 1.8 mp -64.29 149.79 93.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 60.12 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 172.54 16.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 73.11 111.051 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.77 . . . . 62.2 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 74' ' ' LYS . 9.9 pt-20 -95.07 -35.28 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.45 110.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -58.07 168.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 72.34 109.317 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.19 105.97 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 72.33 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.59 ' CD1' HD11 ' A' ' 68' ' ' ILE . 2.8 tt -104.9 132.44 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 72.55 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 81.1 m-85 -117.32 139.54 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.01 111.012 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.7 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.9 mm -89.19 142.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.24 109.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 1.08 ' CE2' HD12 ' A' ' 84' ' ' LEU . 76.5 m-85 -135.0 133.4 39.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 72.25 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.74 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -134.43 140.94 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 53.45 109.262 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.485 ' OD1' ' HD2' ' A' ' 98' ' ' HIS . 4.3 m120 41.93 53.59 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 72.3 109.293 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 50.34 45.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 74.45 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -139.69 -173.63 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 54.55 110.427 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.08 HD12 ' CE2' ' A' ' 79' ' ' PHE . 4.3 tt -143.77 93.64 6.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.21 109.323 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.66 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 75.51 110.99 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.98 168.13 25.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 52.25 110.998 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -80.83 -13.99 58.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 75.55 110.345 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.01 -26.9 23.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 43.2 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.457 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -47.07 139.37 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 41.42 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.4 tp -89.06 131.85 35.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 63.2 109.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.625 ' SD ' HG22 ' A' ' 57' ' ' VAL . 73.1 mmm -62.65 -12.3 22.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 51.21 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.413 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 22.8 t -84.07 -41.57 17.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 70.32 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.72 -36.36 57.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 61.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.64 HG23 ' ND1' ' A' ' 98' ' ' HIS . 15.2 mm -65.76 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 74.53 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.51 ' CD2' HG23 ' A' ' 29' ' ' ILE . 3.0 t80 -57.95 -23.92 55.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 73.43 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.1 -37.3 87.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.13 110.343 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -110.18 -0.71 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 75.24 110.321 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.64 ' ND1' HG23 ' A' ' 94' ' ' ILE . 44.0 m80 -112.97 -9.55 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 72.01 109.562 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -50.23 143.6 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 64.33 109.262 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 2.9 t70 -98.86 179.98 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 71.11 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -77.14 -16.37 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 54.13 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.86 -14.89 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.33 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.48 -59.56 0.36 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 75.02 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.605 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -49.27 177.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 73.33 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.547 HD11 ' CB ' ' A' ' 98' ' ' HIS . 7.8 tp -116.44 156.5 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 74.32 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.595 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.05 105.36 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 75.55 110.995 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.49 HG21 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -135.63 162.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 61.12 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 34' ' ' GLU . 4.0 m -145.38 137.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 53.23 110.404 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.818 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.9 p90 -106.14 148.12 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.35 110.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 1.7 t -145.37 134.35 22.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 74.01 109.95 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.37 -14.28 33.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 52.31 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -110.83 163.46 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 62.13 110.29 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.424 ' OD1' HD13 ' A' ' 84' ' ' LEU . 10.7 t30 -97.43 73.83 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 52.53 109.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.3 p -144.08 142.58 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.42 110.367 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -90.71 -7.51 52.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 71.41 110.976 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 53.1 110.96 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ttm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.51 0.195 . . . . 75.42 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -77.41 -62.79 1.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 71.33 109.258 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -118.28 111.62 19.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.2 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLU . 4.1 p -74.68 -27.73 60.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 54.2 110.4 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 14' ' ' ARG . 2.2 t80 -53.22 -23.5 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 72.23 110.973 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -59.02 -65.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 73.52 109.308 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -91.13 -53.51 4.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 75.1 109.978 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' THR . 1.2 tp10 -41.31 -33.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 62.21 110.286 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -136.25 158.63 73.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 72.2 111.005 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 75.04 111.014 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 4.8 p90 -93.97 -16.76 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 72.31 110.96 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -75.88 -27.57 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 75.3 110.305 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HZ2' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -53.61 -68.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 74.22 109.32 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 60.0 mtt180 -51.54 -44.18 62.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 73.24 110.277 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -44.53 -53.44 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 74.13 109.3 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.27 -57.76 7.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 54.34 109.359 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -42.49 -29.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 65.5 110.342 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -89.14 -40.93 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 54.35 110.003 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ALA . 17.3 mm-40 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 75.53 110.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -80.66 -51.62 8.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 73.41 110.321 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.456 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 19.0 mt -64.01 -18.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.11 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.1 -38.66 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 55.32 109.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.58 -33.14 62.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.2 109.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -81.15 -40.37 24.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 72.51 110.292 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 5.2 m-85 -146.0 81.31 9.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 71.42 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.07 9.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 52.51 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -106.96 17.39 23.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 74.24 109.32 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.3 mmt85 -114.02 -177.8 3.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 74.34 110.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.826 HG23 ' CD2' ' A' ' 95' ' ' TYR . 34.9 mt -147.26 90.9 5.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 74.13 109.329 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.0 97.09 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 74.13 110.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.634 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 3.3 t -85.68 136.18 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 74.43 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.631 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 4.7 mm -113.92 92.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.02 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HG ' ' HA ' ' A' ' 108' ' ' THR . 7.0 t -87.74 157.35 19.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 71.2 108.309 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.974 ' O ' HG23 ' A' ' 108' ' ' THR . 21.5 mp0 -138.88 118.53 13.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 61.42 110.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HZ2' ' HE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -41.04 144.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 72.31 109.313 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.851 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -102.65 109.18 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 64.32 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.8 pt-20 -43.46 -49.44 7.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 71.13 110.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.26 -40.56 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 54.44 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.429 ' OG ' HG23 ' A' ' 41' ' ' ILE . 7.8 t -49.3 161.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 74.22 109.982 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -121.42 13.39 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 73.1 109.265 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.801 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -90.98 163.64 28.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 64.33 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 133.21 16.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 70.14 110.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.05 170.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.54 110.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 68' ' ' ILE . 3.5 pt -109.08 -172.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 70.23 109.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -79.25 -56.26 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 75.34 109.355 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.54 177.65 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 53.33 109.314 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -111.44 102.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 73.45 110.305 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -158.79 111.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 73.23 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' HG13 ' A' ' 64' ' ' ILE . 53.4 m-85 -135.52 96.21 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.24 110.973 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.7 tp -98.56 94.06 6.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 55.41 109.316 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.681 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.65 158.06 37.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 64.54 109.313 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.23 14.86 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 72.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 17.59 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 73.53 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -8.55 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 65.42 109.296 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.681 HD13 ' CG1' ' A' ' 51' ' ' VAL . 7.6 tt -81.22 157.9 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 52.44 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.577 HG22 HD12 ' A' ' 90' ' ' LEU . 16.6 p -118.3 152.0 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 61.24 110.399 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 61' ' ' VAL . 93.6 t -40.46 -47.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 75.32 109.311 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.22 -54.32 2.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 61.01 110.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 13.7 mt-30 -58.08 -53.4 58.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 72.42 110.289 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.634 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 59.6 t80 -46.66 -54.94 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.14 110.99 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.861 HG22 HG13 ' A' ' 78' ' ' ILE . 19.1 t -50.55 -28.47 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 52.1 109.288 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 1.4 t80 -80.69 -60.43 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 63.14 111.022 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 t -40.9 -50.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 72.31 109.316 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -54.05 -52.62 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 71.11 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' MET . 18.6 ttm180 -48.64 -23.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 73.43 110.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -74.12 -43.64 56.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 61.42 109.326 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 17.0 mmt180 -60.82 -18.71 57.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 70.3 110.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.946 HD12 HD22 ' A' ' 70' ' ' LEU . 3.0 pt -113.74 -11.77 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 72.5 109.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.0 ptp 40.96 48.47 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 71.25 111.003 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.946 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -70.41 155.61 93.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 52.13 109.297 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.23 23.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 64.33 111.012 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.58 10.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 72.25 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.21 -29.27 14.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 74.43 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 173.72 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 72.01 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.0 106.24 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 44.11 109.315 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.0 tt -107.67 161.16 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 35.25 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 76' ' ' ILE . 55.2 m-85 -151.26 148.0 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 74.11 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.861 HG13 HG22 ' A' ' 61' ' ' VAL . 3.1 mm -108.17 137.6 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 34.3 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.769 ' CE2' HD13 ' A' ' 84' ' ' LEU . 67.6 m-85 -127.24 122.54 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 60.12 111.009 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.622 ' O ' HG22 ' A' ' 83' ' ' THR . 1.5 p -111.23 133.44 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.04 109.275 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 44.5 61.22 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 64.54 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 43.12 41.09 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 61.32 109.332 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.695 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -141.68 -173.76 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 73.51 110.373 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.769 HD13 ' CE2' ' A' ' 79' ' ' PHE . 5.1 tp -138.21 100.34 8.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 74.14 109.309 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 156.53 43.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 75.12 111.017 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.01 160.33 40.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 71.32 110.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -2.48 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.03 110.396 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.73 -26.83 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 71.14 109.295 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -50.69 137.36 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 45.53 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.577 HD12 HG22 ' A' ' 56' ' ' THR . 6.5 tp -88.48 130.14 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 70.33 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.2 mmm -57.08 -16.44 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 53.41 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 p -74.84 -50.01 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 53.34 109.935 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 71.55 109.28 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.485 HD11 ' HB1' ' A' ' 89' ' ' ALA . 20.5 mm -71.68 -57.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 65.2 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.826 ' CD2' HG23 ' A' ' 29' ' ' ILE . 2.2 t80 -60.35 -18.06 47.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 73.55 111.055 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -77.03 -33.51 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 65.54 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -109.08 -0.85 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.3 110.347 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.553 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 50.2 m-70 -122.98 26.92 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 74.42 109.537 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 135.59 34.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.23 109.305 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 179.28 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 64.41 109.342 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -78.21 -0.52 28.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.15 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 -3.71 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.23 109.285 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.12 -1.38 85.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.155 . . . . 43.3 111.03 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.631 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -103.78 -179.22 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.761 . . . . 64.54 110.997 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.822 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.5 OUTLIER -110.72 156.16 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 54.23 109.281 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.628 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -128.26 105.74 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 72.1 111.003 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.588 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -132.95 160.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 75.24 109.277 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.974 HG23 ' O ' ' A' ' 34' ' ' GLU . 19.2 m -145.09 125.45 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 73.53 110.41 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.801 ' HE1' HD11 ' A' ' 41' ' ' ILE . 6.3 p90 -109.09 141.37 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 75.35 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 4.5 m -140.57 157.43 45.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 55.51 110.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -77.37 2.06 63.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 50.21 110.981 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -125.57 157.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 71.12 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.62 68.2 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 75.5 109.285 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p -129.36 148.42 51.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 71.04 110.402 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -89.84 -4.16 57.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 73.33 111.03 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 54.45 111.034 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.486 0.184 . . . . 62.31 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -83.39 -52.15 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.41 109.25 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 m -130.58 112.85 13.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 74.52 109.977 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 8' ' ' GLU . 6.6 p -55.97 -36.63 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 60.34 110.385 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -49.47 -25.64 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 74.03 111.025 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -55.16 -67.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 75.23 109.339 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.7 p -91.83 -51.03 5.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 64.12 110.037 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' THR . 13.9 tt0 -42.05 -31.34 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 70.32 110.36 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -139.6 158.27 68.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.3 111.032 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -75.03 168.07 25.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 53.33 111.023 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' CD2' ' OD1' ' A' ' 102' ' ' ASP . 0.9 OUTLIER -76.44 -27.98 56.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 74.01 111.004 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.8 -48.64 45.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 53.33 110.337 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' CG ' ' HG2' ' A' ' 10' ' ' PRO . 7.1 mmtm -44.83 -29.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 43.24 109.276 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -76.52 -47.05 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 74.02 110.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' SER . 21.6 ttpt -61.51 -60.52 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 73.44 109.31 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -47.81 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 72.41 109.268 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -48.86 -40.65 30.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 72.11 110.307 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 1.4 t -74.37 -42.12 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 53.01 109.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.43 -26.71 8.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 71.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -82.03 -54.53 5.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 62.33 110.344 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.444 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 28.8 mt -60.28 -19.58 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 75.53 109.248 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.34 -42.88 15.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 55.11 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.16 -40.42 81.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 75.14 109.247 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -85.39 -50.56 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 63.11 110.344 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.7 m-85 -126.15 74.05 72.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 70.22 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.5 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 74.14 111.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.99 8.79 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 75.21 109.272 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.0 mpt_? -104.23 -178.0 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 63.42 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 95' ' ' TYR . 1.7 mt -142.95 90.35 7.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 73.12 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.02 91.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 54.33 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.868 HG22 ' CB ' ' A' ' 105' ' ' LEU . 2.7 t -85.61 153.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 64.33 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -128.24 92.03 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 74.43 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.737 ' HB2' HG13 ' A' ' 107' ' ' VAL . 35.7 t -92.81 154.43 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 71.2 108.252 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.881 ' O ' HG23 ' A' ' 108' ' ' THR . 2.5 mp0 -140.97 118.68 11.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 64.34 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.6 136.65 50.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 71.15 109.337 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.14 123.23 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.31 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -57.0 -43.94 82.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.04 110.252 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -54.7 -47.36 73.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 75.35 109.34 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 p -39.64 157.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.1 109.997 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -107.83 28.9 7.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 33.41 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.618 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -99.63 160.2 28.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 64.13 109.303 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 74.11 111.018 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.64 159.73 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 75.42 110.291 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.572 HG21 ' HB3' ' A' ' 67' ' ' ARG . 14.3 pt -103.03 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.34 109.267 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.15 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.34 109.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 -167.91 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 72.42 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.686 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -118.64 101.6 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 71.34 110.254 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -153.42 123.98 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.52 109.33 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 21.8 m-85 -137.97 104.57 5.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 72.35 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -106.96 92.11 3.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 75.24 109.322 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.726 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -116.12 154.45 48.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 70.21 109.276 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 73.35 110.979 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -88.29 17.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.41 109.289 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.02 -3.03 10.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.3 109.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.726 HD13 HG12 ' A' ' 51' ' ' VAL . 6.3 tt -89.79 152.84 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 73.4 109.267 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -113.57 164.21 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 64.32 110.357 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 61' ' ' VAL . 95.7 t -48.42 -44.0 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.52 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.01 -56.08 2.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 72.43 111.011 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.589 ' HB2' HD11 ' A' ' 55' ' ' LEU . 3.8 mm100 -55.45 -51.17 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 72.11 110.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.1 t80 -48.93 -58.78 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.01 110.994 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.7 HG22 ' CG1' ' A' ' 78' ' ' ILE . 35.6 t -44.03 -30.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 72.52 109.325 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -80.29 -45.9 17.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.42 110.993 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.11 -45.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 52.25 109.307 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 60' ' ' PHE . 4.4 mp -61.03 -55.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.45 109.298 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -43.83 -26.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.02 110.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -82.74 -44.17 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 74.51 109.265 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.572 ' HB3' HG21 ' A' ' 44' ' ' ILE . 7.1 mmt-85 -58.66 -29.89 66.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 74.34 110.254 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.049 HD12 HD22 ' A' ' 70' ' ' LEU . 1.4 pt -108.37 -8.64 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 72.31 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 11.7 ptp 41.75 47.12 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 74.15 111.019 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.049 HD22 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -69.98 155.8 92.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 62.12 109.286 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.06 19.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 51.31 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 70.13 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.29 -40.8 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 74.32 110.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 74.25 109.326 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 111' ' ' GLY . . . -153.8 106.12 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 53.5 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.652 HD12 ' CD1' ' A' ' 68' ' ' ILE . 4.6 tt -110.26 161.41 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 71.02 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -151.02 145.65 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 72.14 111.035 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 84' ' ' LEU . 2.5 mm -101.66 139.21 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 50.41 109.277 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.832 ' CE2' HD13 ' A' ' 84' ' ' LEU . 69.5 m-85 -131.04 120.55 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.21 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.573 HG12 HG22 ' A' ' 83' ' ' THR . 1.3 p -111.24 130.15 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 63.41 109.322 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 m120 46.68 65.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.33 109.259 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 40.27 37.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 74.34 109.278 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -138.29 179.82 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.33 110.444 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.832 HD13 ' CE2' ' A' ' 79' ' ' PHE . 2.6 tp -136.7 99.63 10.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 73.22 109.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.431 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.96 161.74 38.36 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.439 1.758 . . . . 74.03 111.05 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.06 165.49 31.12 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.799 . . . . 74.11 110.978 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 3.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.24 110.344 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.2 -28.35 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 74.23 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . . . -44.06 126.97 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 72.12 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.05 127.24 32.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 71.25 109.298 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.2 mmm -56.5 -16.72 6.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 64.44 110.997 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 p -75.09 -47.87 26.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 72.45 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.57 61.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 73.51 109.281 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.493 HG23 ' CD2' ' A' ' 98' ' ' HIS . 17.6 mm -67.53 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 71.13 109.287 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -56.74 -19.68 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 60.44 111.023 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.84 -40.27 75.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 75.41 110.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -107.73 -0.67 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 74.43 110.314 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.578 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 89.9 m-70 -116.97 20.66 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 71.43 109.579 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -94.57 135.73 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 64.52 109.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -96.08 179.96 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 75.32 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.28 -15.69 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 73.43 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.556 ' OD1' ' CD2' ' A' ' 11' ' ' PHE . 2.3 m-20 -87.83 -16.55 33.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 73.44 109.321 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.66 -51.8 1.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 55.13 111.006 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.7 m-85 -49.56 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 73.21 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.868 ' CB ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -113.27 157.84 21.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 73.14 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.23 102.83 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 72.15 110.992 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.737 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -124.72 159.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 75.43 109.323 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 34' ' ' GLU . 39.0 m -154.98 114.63 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 72.32 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.618 ' HE1' HD11 ' A' ' 41' ' ' ILE . 5.5 p90 -101.57 -173.64 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 73.22 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -174.74 161.93 3.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.23 110.024 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 75' ' ' ALA . . . -75.37 -0.24 61.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 74.22 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -124.08 156.95 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 64.35 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -87.76 63.67 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.3 109.318 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.531 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 5.2 p -128.86 160.27 33.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 65.35 110.434 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -93.44 3.89 54.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 41.45 111.012 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 65.22 111.011 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mtm . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.539 0.209 . . . . 70.3 110.967 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -116.19 -49.02 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.32 109.286 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -141.58 132.52 26.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 64.04 110.04 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 p -67.05 -37.84 84.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 62.11 110.406 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.49 ' CE2' ' HD2' ' A' ' 47' ' ' ARG . 13.4 m-30 -44.97 -25.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 71.25 110.964 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -64.93 -45.6 85.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 65.11 109.24 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 m -99.62 -63.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 72.34 109.999 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -39.58 -37.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 62.42 110.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -126.16 157.57 69.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.24 111.015 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' HG2' ' CG ' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.02 163.7 34.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 71.4 110.999 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 102' ' ' ASP . 2.1 t80 -75.63 -20.62 58.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 73.43 110.983 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -78.79 -49.91 12.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.45 110.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.651 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.2 mmtm -42.49 -53.53 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 74.34 109.304 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -53.72 -59.74 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 73.45 110.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -46.67 -33.73 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 71.34 109.251 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -64.23 -60.14 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 43.45 109.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.23 -32.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 63.14 110.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 t -79.33 -52.25 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 65.23 109.965 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.63 -31.83 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 75.21 110.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -80.23 -44.76 19.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 73.15 110.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.541 HG23 HD21 ' A' ' 50' ' ' LEU . 29.5 mt -60.63 -24.9 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 63.31 109.278 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.8 -37.8 29.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 61.03 109.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.73 -46.7 88.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 74.23 109.268 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -80.43 -43.88 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 65.21 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.6 m-85 -132.6 78.41 67.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 72.14 110.977 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 0.01 9.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 74.32 110.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -108.22 17.39 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 73.11 109.321 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 24.6 mmt180 -112.93 -177.9 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 64.53 110.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.836 HG23 ' CD2' ' A' ' 95' ' ' TYR . 15.5 mt -149.06 93.55 4.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.34 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.02 97.57 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.515 1.797 . . . . 63.13 110.989 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.902 HG22 ' HB3' ' A' ' 105' ' ' LEU . 2.8 t -94.92 126.73 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 52.11 109.283 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.592 HG23 ' HD3' ' A' ' 47' ' ' ARG . 2.6 mm -98.3 91.8 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 73.25 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.648 ' SG ' HG23 ' A' ' 107' ' ' VAL . 49.9 t -94.53 157.41 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 72.23 108.321 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.594 ' HG3' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -132.81 170.86 14.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.14 110.274 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 2.1 tmtt? -100.15 134.13 43.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.15 109.33 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.809 ' HB3' ' HB3' ' A' ' 39' ' ' SER . . . -64.61 111.39 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.12 109.294 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.17 -36.33 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.32 110.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -68.4 -38.63 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 64.4 109.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.809 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 6.6 p -48.36 175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 61.41 110.029 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -122.85 21.95 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 72.21 109.306 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -87.98 154.58 52.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 74.31 109.278 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.706 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.95 135.07 18.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 55.32 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -55.36 163.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 45.22 110.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.811 ' CG2' HG23 ' A' ' 68' ' ' ILE . 27.6 pt -114.58 166.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 75.31 109.279 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -47.65 -58.37 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 64.43 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.57 -167.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 70.51 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HD3' HG23 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -119.23 101.46 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 65.53 110.279 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -159.27 102.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.31 109.326 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 97.2 m-85 -124.24 93.75 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 75.33 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD21 HG23 ' A' ' 21' ' ' ILE . 4.8 tp -95.63 96.79 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 71.11 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.789 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.65 153.66 44.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 74.04 109.342 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 64.14 110.985 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.596 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -89.28 18.52 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 54.52 109.324 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -124.44 1.76 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 72.4 109.326 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.789 HD13 HG12 ' A' ' 51' ' ' VAL . 4.0 tt -93.72 155.75 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 74.44 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -105.29 154.87 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.4 110.41 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 60' ' ' PHE . 73.1 t -47.54 -44.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 71.03 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' VAL . . . -40.61 -58.8 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 52.11 111.017 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.526 ' CB ' HD11 ' A' ' 55' ' ' LEU . 23.7 mt-30 -45.44 -37.6 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 72.21 110.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 64' ' ' ILE . 10.2 t80 -63.64 -36.38 83.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 64.44 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' GLY . 11.1 t -68.63 -16.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 72.04 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -86.72 -63.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.15 111.006 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG23 HD12 ' A' ' 64' ' ' ILE . 6.3 m -44.8 -47.85 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 73.23 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -56.53 -64.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 64.42 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 64' ' ' ILE . 18.6 ttm180 -40.62 -28.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 75.24 110.268 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -79.76 -49.19 12.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 73.32 109.271 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.497 ' O ' HG22 ' A' ' 44' ' ' ILE . 4.6 mmp_? -50.15 -21.82 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 72.14 110.259 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.032 HD12 HD22 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -106.58 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 50.42 109.299 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 72.2 31.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 72.51 110.965 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.032 HD22 HD12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -64.32 152.72 88.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 62.42 109.29 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 73.2 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 64.32 110.981 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.32 -29.63 13.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 65.42 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 4.2 mttp -69.73 170.42 10.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 72.53 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.67 106.13 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 73.12 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 41' ' ' ILE . 6.5 tt -102.66 130.82 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 63.44 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 67.5 m-85 -110.61 138.63 46.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 73.11 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.509 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.7 mm -94.24 141.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 73.42 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.631 ' CE2' HD13 ' A' ' 84' ' ' LEU . 38.4 m-85 -129.18 129.71 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.14 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.77 ' O ' HG22 ' A' ' 83' ' ' THR . 1.3 p -129.34 128.82 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.15 109.307 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.8 m120 58.42 37.45 25.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 72.41 109.286 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 59.95 34.28 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.43 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.97 -173.79 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 73.44 110.387 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.631 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -147.08 94.8 4.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.43 109.298 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.451 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 164.04 34.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.773 . . . . 63.53 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.86 40.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 63.34 110.976 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -17.33 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 73.11 110.397 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.17 -26.58 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 34.31 109.267 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.45 133.98 19.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 74.52 109.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -86.07 135.64 33.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 64.41 109.302 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.9 mmm -62.93 -11.71 20.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.04 110.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.596 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 53.9 p -84.28 -44.45 13.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 64.33 109.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.3 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 64.14 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.877 HG23 ' CD2' ' A' ' 98' ' ' HIS . 19.3 mm -65.51 -61.36 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 64.24 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.836 ' CD2' HG23 ' A' ' 29' ' ' ILE . 4.1 t80 -54.92 -22.1 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 75.33 110.996 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.63 -36.38 76.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 74.31 110.307 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -109.01 -0.77 19.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 50.42 110.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.877 ' CD2' HG23 ' A' ' 94' ' ' ILE . 42.8 m-70 -109.53 -21.47 12.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 72.53 109.603 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -44.65 142.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 75.12 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.12 179.75 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 75.03 109.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -68.16 -17.97 64.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 70.21 109.303 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 3.7 p-10 -90.71 -14.77 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 62.3 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -54.02 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 75.34 110.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -51.64 170.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 75.42 110.982 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.902 ' HB3' HG22 ' A' ' 31' ' ' VAL . 5.9 tp -115.08 128.34 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 75.31 109.32 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -101.7 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 52.43 110.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.648 HG23 ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -144.04 165.31 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 72.43 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 34' ' ' GLU . 5.3 m -155.58 133.21 11.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.01 110.401 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 35' ' ' LYS . 2.2 p90 -107.61 -179.91 4.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 70.22 110.938 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.5 p -169.96 131.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 72.21 110.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.48 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -47.26 -23.51 1.88 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 64.1 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -104.67 157.74 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 74.14 110.328 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -94.72 70.18 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 61.34 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 p -129.67 157.51 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 71.23 110.408 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -95.55 -0.14 52.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 71.31 110.971 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 54.23 111.007 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mmm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.453 0.168 . . . . 70.54 111.044 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -87.89 -73.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 64.31 109.322 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -117.21 113.33 22.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 74.43 110.014 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 5.0 p -92.94 -1.79 56.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 64.12 110.412 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 2.8 m-30 -68.87 -38.8 79.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 75.41 111.028 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -33.14 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 71.43 109.345 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -79.57 -66.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 72.15 110.031 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 4' ' ' THR . 1.9 tp10 -57.69 -40.95 80.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 74.31 110.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -123.31 164.76 25.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 75.44 110.972 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 162.98 36.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 55.42 111.008 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.45 -28.49 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 71.4 110.946 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.99 -30.46 67.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 75.22 110.309 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 23.6 tptt -57.07 -66.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 63.05 109.323 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -42.8 -45.26 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 62.12 110.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -61.56 -42.39 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 74.34 109.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -53.22 -61.76 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.24 109.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.98 -52.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 62.23 110.287 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -51.42 -45.92 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 74.01 110.029 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.9 mt-10 -55.68 -26.82 46.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 62.34 110.256 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -79.96 -34.04 39.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 75.31 110.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.824 HG21 ' HG3' ' A' ' 30' ' ' PRO . 29.2 mt -77.21 -27.63 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 72.41 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.94 -22.07 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 63.45 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -94.01 -18.04 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.1 109.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -105.19 -64.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 74.55 110.302 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.3 m-85 -121.83 76.05 38.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 75.41 111.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 75.43 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -101.34 12.59 37.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 63.52 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 50' ' ' LEU . 6.4 mmm180 -112.15 -177.86 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 71.12 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 95' ' ' TYR . 45.8 mt -147.0 90.55 5.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 74.32 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.824 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 102.38 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 71.54 111.02 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.681 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -87.48 154.57 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 74.44 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.4 mm -133.1 92.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 63.03 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 14.2 p -89.0 157.42 18.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 61.34 108.326 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 108' ' ' THR . 31.6 mt-10 -136.45 119.97 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.03 110.304 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HZ2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -40.24 139.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 72.12 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.569 ' HB3' ' OG ' ' A' ' 39' ' ' SER . . . -98.36 109.47 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 65.03 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -47.57 -33.69 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 70.22 110.314 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -57.5 -42.94 83.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 63.4 109.272 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.569 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -56.63 167.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.43 109.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -124.56 13.61 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 73.13 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.555 HD11 ' HZ2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -79.34 161.73 66.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 72.43 109.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.65 19.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 75.05 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.6 161.59 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 74.32 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.79 ' CG2' HG23 ' A' ' 68' ' ' ILE . 29.8 pt -109.81 -172.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 63.34 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -80.15 -55.85 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 74.23 109.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.487 ' HD3' HH21 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -158.88 160.95 36.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 72.11 109.329 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.589 ' HG3' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -105.69 101.85 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 72.1 110.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -158.78 110.72 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 71.32 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.653 ' HB2' HG12 ' A' ' 31' ' ' VAL . 49.6 m-85 -136.47 123.9 22.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 74.12 110.965 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 30' ' ' PRO . 5.7 mt -109.47 101.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 75.12 109.305 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.853 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.58 152.5 42.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 65.34 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.23 14.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 65.13 111.025 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 92' ' ' SER . . . -89.16 17.77 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 73.25 109.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -124.54 1.96 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.1 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.853 HD13 HG12 ' A' ' 51' ' ' VAL . 4.0 tt -92.28 154.1 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 63.14 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.7 p -100.96 160.81 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 74.54 110.396 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.593 HG22 ' SD ' ' A' ' 91' ' ' MET . 63.9 t -55.91 -52.42 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 65.43 109.279 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.68 -42.91 2.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 74.32 110.983 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -57.31 -43.23 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 64.44 110.268 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.681 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 20.5 t80 -61.22 -58.85 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.22 111.0 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 78' ' ' ILE . 21.8 t -40.43 -29.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.53 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' PHE . 7.8 t80 -77.7 -48.32 17.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 62.21 110.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.912 HG12 HD12 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -46.01 -45.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 65.02 109.345 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.912 HD12 HG12 ' A' ' 63' ' ' VAL . 1.4 mp -63.92 -51.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 71.54 109.246 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.9 ttp180 -46.04 -24.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 44.1 110.354 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -50.95 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 64.55 109.282 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.487 HH21 ' HD3' ' A' ' 46' ' ' LYS . 3.9 mmt-85 -54.17 -28.13 38.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 71.34 110.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.925 HD12 HD22 ' A' ' 70' ' ' LEU . 1.3 pt -107.07 -14.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 62.24 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.5 ptp 42.44 47.19 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 73.34 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.925 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -64.47 164.76 17.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 64.13 109.328 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.39 27.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 74.22 110.961 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.812 . . . . 75.51 111.027 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.48 -36.42 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 62.42 110.337 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.37 173.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 53.13 109.281 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.84 108.43 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 73.33 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.705 HD13 HD11 ' A' ' 68' ' ' ILE . 3.5 tt -99.37 159.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 75.41 109.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -148.51 137.87 21.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 75.31 110.992 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 61' ' ' VAL . 15.8 mm -93.65 152.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 55.34 109.279 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 114' ' ' THR . 4.5 m-85 -136.71 140.22 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 64.41 111.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 83' ' ' THR . 1.1 m -126.6 123.8 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 50.14 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m120 59.12 41.5 20.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 72.32 109.29 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.22 30.9 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.51 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.546 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -128.63 176.42 7.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 64.33 110.399 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.546 ' N ' HG23 ' A' ' 83' ' ' THR . 0.6 OUTLIER -133.19 95.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 64.22 109.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.75 28.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.541 1.811 . . . . 72.54 111.027 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.0 157.27 42.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 53.41 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.17 -14.29 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 73.05 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.96 -26.69 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 53.43 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.17 136.07 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.34 109.336 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.3 tp -86.3 132.89 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 64.43 109.317 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.593 ' SD ' HG22 ' A' ' 57' ' ' VAL . 86.3 mmm -61.29 -13.06 16.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 70.52 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.453 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 55.0 p -81.13 -45.9 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.14 110.015 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.26 -31.78 58.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 62.43 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.558 HD11 ' HB1' ' A' ' 89' ' ' ALA . 13.4 mm -67.6 -60.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.14 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.604 ' CD2' HG23 ' A' ' 29' ' ' ILE . 6.4 t80 -61.05 -22.08 64.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 62.44 110.979 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.18 -34.86 77.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 71.53 110.305 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.5 -0.71 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 74.05 110.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.528 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 37.1 m80 -114.08 -12.19 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 53.01 109.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -45.11 142.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.55 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.401 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 3.0 t70 -96.86 179.66 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 72.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -76.91 -12.95 60.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 71.3 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.5 p30 -103.32 14.24 31.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 63.33 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.31 -61.89 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 71.31 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -46.34 172.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 54.23 110.984 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.485 HD11 ' C ' ' A' ' 98' ' ' HIS . 8.3 tp -115.33 165.16 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 71.45 109.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -131.51 122.2 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 74.41 111.008 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.51 HG21 ' HE2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -143.74 177.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.34 109.296 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 34' ' ' GLU . 2.3 m -151.05 132.47 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 65.31 110.413 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.404 ' HB3' ' CD1' ' A' ' 78' ' ' ILE . 46.1 p90 -113.94 136.53 52.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.55 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.441 ' HG ' ' CB ' ' A' ' 39' ' ' SER . 37.8 t -142.41 153.1 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 54.13 109.959 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.42 -6.01 52.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.523 1.14 . . . . 65.34 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.653 ' HG2' HG23 ' A' ' 114' ' ' THR . 34.1 tt0 -109.32 156.65 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.786 . . . . 74.03 110.322 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.64 50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 52.13 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.653 HG23 ' HG2' ' A' ' 112' ' ' GLU . 22.9 p -93.23 171.53 8.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 64.45 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -101.61 5.75 41.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 72.35 111.009 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 74.04 110.996 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.472 0.177 . . . . 71.32 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.64 -67.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 73.11 109.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -128.79 103.68 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 71.42 110.037 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p -57.42 -38.99 75.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 71.24 110.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 1.6 t80 -42.86 -26.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.21 111.035 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -55.9 -67.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.51 109.31 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 9' ' ' TYR . 8.5 m -90.72 -50.8 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 73.11 110.023 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -39.07 -31.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 61.13 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 7' ' ' SER . 6.9 m-85 -143.73 156.07 59.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 52.45 111.054 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.34 22.84 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.516 1.798 . . . . 73.42 110.997 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 4.5 t80 -76.21 -39.35 54.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 75.21 110.958 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.47 -16.88 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 70.22 110.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -58.34 -69.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.11 109.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 5' ' ' PHE . 13.3 ptm180 -59.52 -49.41 77.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 64.02 110.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 25.3 tttp -47.4 -34.64 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.31 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.48 -44.72 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 63.15 109.247 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -47.39 -48.18 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 63.04 110.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -60.4 -45.39 93.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 55.13 109.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -51.19 -27.48 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 64.41 110.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -80.57 -57.44 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 43.54 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.438 HD13 ' HB3' ' A' ' 30' ' ' PRO . 8.4 mt -56.48 -20.65 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 64.53 109.333 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.8 -32.07 27.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 62.32 109.337 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.64 -35.14 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.24 109.287 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 5.3 tpt180 -84.41 -49.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.35 110.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 2.1 m-85 -139.89 88.29 12.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 61.33 111.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.44 12.54 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 72.45 110.995 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.32 24.37 11.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 62.41 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.862 ' HG3' HD11 ' A' ' 50' ' ' LEU . 18.9 mmt-85 -117.97 -177.81 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 75.54 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.627 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 13.6 mt -149.95 96.37 3.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.51 109.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.06 95.62 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 70.12 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -85.77 160.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 71.02 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.539 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 8.1 mm -134.23 93.6 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 65.23 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.824 ' HB2' HG13 ' A' ' 107' ' ' VAL . 46.0 t -98.45 157.21 16.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 60.52 108.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 108' ' ' THR . 39.6 mt-10 -139.92 118.43 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 71.24 110.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -50.01 136.53 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.53 109.267 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.879 ' HB3' ' HB3' ' A' ' 39' ' ' SER . . . -66.0 109.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 61.31 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.53 -44.45 56.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 75.52 110.275 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -62.29 -35.83 80.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 74.12 109.257 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.879 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.0 p -46.82 171.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 73.03 109.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.36 19.36 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 74.21 109.302 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.692 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -89.68 161.09 40.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 75.12 109.302 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.708 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.99 121.88 6.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.768 . . . . 71.25 110.963 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.64 164.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 61.32 110.311 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.755 HG21 ' HB3' ' A' ' 67' ' ' ARG . 4.7 pt -105.83 170.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 71.02 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -63.15 -57.4 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 51.43 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 -174.43 3.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 70.14 109.313 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.547 ' NH2' ' CG ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -126.17 101.61 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 71.44 110.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -159.46 115.94 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 70.53 109.265 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.722 ' HB2' HG12 ' A' ' 31' ' ' VAL . 81.1 m-85 -129.7 93.77 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 62.51 110.977 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.862 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.1 tm? -77.18 92.0 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 74.01 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.73 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 146.16 33.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 74.3 109.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -75.01 173.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 75.45 110.99 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -90.03 18.53 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.14 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -124.63 2.05 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 71.32 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.73 HD13 HG12 ' A' ' 51' ' ' VAL . 5.5 tt -94.66 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 64.43 109.345 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.583 HG22 ' CD1' ' A' ' 90' ' ' LEU . 11.5 p -111.58 165.01 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.54 110.384 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -52.22 -39.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 65.33 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.498 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -42.88 -61.29 2.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 70.45 111.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.62 ' CB ' HD11 ' A' ' 55' ' ' LEU . 65.7 mm-40 -45.83 -49.34 15.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 70.54 110.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.403 ' C ' ' N ' ' A' ' 62' ' ' TYR . 10.1 t80 -49.69 -58.43 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 54.23 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.919 HG22 HG12 ' A' ' 78' ' ' ILE . 25.0 t -44.57 -28.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.53 109.353 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 3.1 t80 -84.81 -44.21 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.45 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 t -52.76 -55.53 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 75.21 109.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.582 HG22 HD11 ' A' ' 68' ' ' ILE . 2.1 mp -54.25 -53.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 74.04 109.284 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' MET . 12.9 ttp85 -39.73 -32.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 71.1 110.332 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -80.48 -47.92 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 64.33 109.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.755 ' HB3' HG21 ' A' ' 44' ' ' ILE . 3.0 mpt_? -56.31 -28.87 60.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 74.31 110.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.772 HD12 HD12 ' A' ' 70' ' ' LEU . 1.3 pt -107.7 -11.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.12 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 21.0 ptp 41.4 50.71 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 75.44 110.953 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 68' ' ' ILE . 11.9 mt -64.51 163.97 23.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 74.24 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 157.42 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 65.33 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.77 10.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 64.41 111.031 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.85 -13.61 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 74.31 110.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -95.8 178.88 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 62.2 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.49 108.36 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 72.44 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.628 HD12 ' CD1' ' A' ' 68' ' ' ILE . 6.8 tt -95.53 154.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 74.4 109.298 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 80.7 m-85 -137.33 149.28 46.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 61.41 110.986 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.919 HG12 HG22 ' A' ' 61' ' ' VAL . 3.7 mm -100.1 158.87 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.04 109.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 1.072 ' CE2' HD12 ' A' ' 84' ' ' LEU . 14.6 m-85 -147.2 151.81 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 74.33 111.009 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.571 HG22 HG22 ' A' ' 83' ' ' THR . 1.1 m -137.44 123.85 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 71.43 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.7 m120 55.67 51.8 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 74.45 109.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 52.91 44.12 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 64.34 109.29 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.571 HG22 HG22 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -143.76 171.08 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 71.4 110.451 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.072 HD12 ' CE2' ' A' ' 79' ' ' PHE . 1.7 tt -128.14 95.2 34.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 70.43 109.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 169.13 23.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 72.04 110.968 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.37 40.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 74.54 110.976 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.498 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -82.11 -13.33 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 75.21 110.393 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.13 -22.6 26.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 73.42 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.597 ' HB1' ' CG1' ' A' ' 94' ' ' ILE . . . -48.82 139.65 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.43 109.285 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.583 ' CD1' HG22 ' A' ' 56' ' ' THR . 6.3 tp -91.57 131.57 36.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 64.53 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.7 mmm -60.25 -15.41 24.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 64.22 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 -43.38 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 65.4 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.08 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 73.04 109.31 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 15.7 mm -46.2 -58.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 71.31 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 t80 -59.24 -31.97 69.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 72.11 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -70.08 -28.66 65.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 72.34 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.87 -0.58 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 75.42 110.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.542 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 48.1 m80 -122.52 0.21 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 65.23 109.576 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -69.28 134.86 49.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 74.31 109.307 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.507 ' CG ' ' CE1' ' A' ' 106' ' ' TYR . 9.1 m-20 -102.62 179.23 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 70.23 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.42 109.257 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 11' ' ' PHE . 3.1 p30 -86.9 9.04 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 71.44 109.313 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.13 -67.87 0.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 74.32 110.957 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -46.89 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 75.44 110.954 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 95' ' ' TYR . 8.1 tp -113.37 165.07 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 65.13 109.34 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -133.2 119.01 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.24 110.994 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -136.01 164.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 75.44 109.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' GLU . 93.1 m -152.44 126.72 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 61.12 110.386 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.692 ' HE1' HD11 ' A' ' 41' ' ' ILE . 5.6 p90 -113.7 151.93 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 62.35 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.1 p -144.69 148.1 33.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.1 110.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -56.23 -17.01 16.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 75.33 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -104.86 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 75.32 110.304 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -92.55 23.7 3.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 64.44 109.249 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.487 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 2.5 p -100.37 156.74 17.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 73.03 110.424 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -79.8 -5.33 55.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 74.34 111.006 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 54.21 110.996 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tpp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.516 0.198 . . . . 73.01 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -79.25 -72.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 75.43 109.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 t -61.24 114.29 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 73.13 110.055 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' SER . 2.8 p -94.99 -0.73 53.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 74.52 110.4 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -37.75 -32.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 51.11 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 4' ' ' THR . 1.8 ttpm? -68.12 -54.1 20.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 71.25 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' THR . 72.0 m -84.31 -67.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 63.25 109.982 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.593 ' OE2' ' CD2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -39.01 -53.37 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.23 110.252 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.593 ' CD2' ' OE2' ' A' ' 8' ' ' GLU . 6.8 m-85 -107.59 155.8 39.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 73.43 110.999 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.3 18.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 61.04 110.992 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 12' ' ' GLU . 23.9 p90 -88.17 -37.04 16.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 73.12 110.973 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 11' ' ' PHE . 11.1 mt-10 -53.95 -26.17 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 74.34 110.257 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -60.36 -68.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 74.51 109.287 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 9.6 mmm180 -55.73 -19.56 11.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.43 110.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -66.23 -49.29 67.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 71.53 109.29 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.97 -42.12 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 75.04 109.301 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -67.97 -19.76 64.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 74.24 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -87.43 -36.32 17.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 73.04 110.046 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 61.52 110.237 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -82.42 -44.0 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 64.14 110.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.417 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 35.8 mt -65.93 -31.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 71.13 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -82.88 -43.14 16.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 44.52 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.92 -47.58 80.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 72.35 109.289 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -79.73 -46.93 16.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 74.14 110.345 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.4 m-85 -130.46 77.13 76.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 64.21 111.006 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.95 -0.88 10.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 75.43 111.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.17 22.17 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 72.34 109.299 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.465 ' HB3' HD11 ' A' ' 50' ' ' LEU . 13.9 mmt180 -118.01 -177.91 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 73.14 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.628 HG23 ' CD2' ' A' ' 95' ' ' TYR . 2.8 mt -141.96 92.91 7.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 70.25 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.56 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -74.95 103.58 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 73.21 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 105' ' ' LEU . 3.8 t -101.21 152.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 65.33 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.0 mm -122.58 92.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 65.43 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -85.26 127.21 34.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 72.11 108.304 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -112.85 148.17 35.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 74.41 110.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 143.13 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 75.33 109.258 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.669 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -108.75 109.0 20.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 72.12 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -49.98 -41.75 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.42 110.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 27.0 mttp -44.53 -36.75 3.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 71.12 109.286 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -68.22 173.85 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.32 110.043 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -119.99 1.01 10.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 74.14 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.972 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -74.08 163.12 70.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 61.1 109.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.21 36.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 51.12 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 64.42 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 68' ' ' ILE . 4.8 pt -113.09 -172.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 61.4 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -76.47 -57.52 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 72.44 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 -172.96 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 74.15 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.648 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -116.2 106.18 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 74.45 110.301 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -158.6 103.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 72.32 109.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 6.0 m-85 -126.69 133.73 50.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 53.42 110.983 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 28' ' ' ARG . 13.7 tp -131.34 100.96 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 52.24 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.77 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -112.55 154.66 44.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 71.13 109.344 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.13 15.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.475 1.776 . . . . 72.34 110.991 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.76 18.33 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 61.2 109.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -124.63 2.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 62.22 109.251 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.77 HD13 HG12 ' A' ' 51' ' ' VAL . 4.8 tt -94.25 155.88 16.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 65.41 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 16.4 p -108.89 164.37 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 63.41 110.431 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.7 t -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 61.01 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.23 -57.6 2.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 72.42 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.463 ' HB2' HD11 ' A' ' 55' ' ' LEU . 42.5 mm-40 -45.38 -46.6 13.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 74.55 110.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.604 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 19.3 t80 -52.78 -50.0 64.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.32 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.932 HG22 HG12 ' A' ' 78' ' ' ILE . 16.2 t -48.77 -30.9 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 61.2 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.4 t80 -82.86 -31.61 27.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 64.54 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 t -58.31 -50.91 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 54.43 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.655 HG22 HD11 ' A' ' 68' ' ' ILE . 2.2 mp -59.63 -51.23 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.13 109.287 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' MET . 31.5 ttm-85 -42.42 -29.04 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.142 . . . . 65.55 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -79.3 -46.16 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 71.15 109.326 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.54 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -58.6 -31.06 67.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.44 110.281 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.136 HD12 HD22 ' A' ' 70' ' ' LEU . 1.4 pt -107.21 -5.12 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.42 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.0 ptp 41.68 48.93 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 62.34 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.136 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -73.76 156.52 88.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 53.22 109.268 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 75.12 111.0 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 62.1 111.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -95.08 -35.93 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 71.43 110.275 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.02 177.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.32 109.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.41 109.03 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 52.32 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.683 HD13 HD11 ' A' ' 68' ' ' ILE . 2.5 tt -108.08 142.61 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.33 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.719 ' C ' HD13 ' A' ' 78' ' ' ILE . 60.8 m-85 -123.0 139.9 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 74.34 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.932 HG12 HG22 ' A' ' 61' ' ' VAL . 1.4 mm -96.1 131.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 64.13 109.288 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 84' ' ' LEU . 54.4 m-85 -126.25 117.66 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.15 111.001 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.58 HG12 HG22 ' A' ' 83' ' ' THR . 1.3 p -110.75 131.63 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 60.52 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.4 m120 45.44 64.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 51.31 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 40.49 36.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 72.14 109.282 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -136.27 179.09 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 53.31 110.369 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.855 HD13 ' CE1' ' A' ' 79' ' ' PHE . 2.9 tp -139.72 99.69 7.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 61.25 109.332 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 164.08 34.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 63.12 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.02 162.14 37.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 63.44 110.967 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -79.65 -0.9 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 63.04 110.388 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.5 -30.58 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 60.04 109.355 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -42.13 142.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 61.02 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 90' ' ' LEU . 7.2 tp -94.52 136.57 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 61.14 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.511 ' O ' HD13 ' A' ' 29' ' ' ILE . 72.3 mmm -61.99 -12.63 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.44 110.991 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -78.75 -49.76 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 73.45 110.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.74 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 74.51 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.498 HG23 ' CD2' ' A' ' 98' ' ' HIS . 17.3 mm -63.22 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 64.53 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.697 ' CD2' HD13 ' A' ' 105' ' ' LEU . 3.0 t80 -56.16 -21.9 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 73.42 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.63 -38.38 86.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 72.01 110.235 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -110.87 -0.73 16.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 72.12 110.287 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.518 ' CE1' HG13 ' A' ' 80' ' ' VAL . 92.8 m-70 -119.33 27.27 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 53.2 109.557 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -101.67 131.74 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 74.32 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -90.47 179.97 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 54.4 109.333 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -63.94 -15.54 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 70.5 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -92.96 -15.21 26.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 74.12 109.294 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.51 -51.4 1.38 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.471 1.107 . . . . 35.44 110.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 2.3 m-85 -46.15 172.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 72.41 110.991 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.697 HD13 ' CD2' ' A' ' 95' ' ' TYR . 2.8 mp -113.98 155.87 25.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 52.52 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -125.24 105.62 9.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 72.25 110.976 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.505 HG21 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -132.65 160.94 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.23 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.669 HG22 ' HB2' ' A' ' 36' ' ' ALA . 6.3 m -143.94 130.85 20.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 63.15 110.385 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.972 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.7 p90 -101.5 152.67 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 71.32 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.5 p -158.57 123.62 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 33.12 109.999 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -45.46 -24.96 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 41.21 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.09 159.73 15.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 70.04 110.299 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -96.33 69.61 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 64.41 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.546 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 3.3 p -125.91 149.13 48.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 53.22 110.382 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -92.71 -2.63 55.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 71.51 111.0 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 43.21 110.973 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.449 0.166 . . . . 64.54 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -123.78 -46.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 74.01 109.266 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 p -134.1 90.47 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 64.51 109.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.0 p -93.91 -26.88 16.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 73.33 110.42 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.587 ' CE2' ' CD ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -57.42 -23.21 48.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 73.2 111.005 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -59.98 -57.69 11.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 74.44 109.276 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' TYR . 2.2 t -94.73 -60.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 73.34 109.991 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 4' ' ' THR . 6.5 tt0 -38.7 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 64.43 110.355 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' SER . 1.4 m-85 -130.74 97.5 21.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 74.44 111.062 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.65 34.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.554 1.818 . . . . 74.54 111.032 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CE1' ' OD2' ' A' ' 102' ' ' ASP . 59.3 t80 -54.35 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.3 111.018 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 21.6 tt0 -37.77 -60.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.31 110.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -42.43 -63.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 43.43 109.316 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 85.8 mtm180 -45.44 -57.42 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.15 110.298 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -48.03 -32.89 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 72.42 109.335 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -68.71 -39.06 80.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 55.35 109.278 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.965 ' O ' HD12 ' A' ' 21' ' ' ILE . 12.0 tt0 -58.17 -26.87 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 64.4 110.243 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -87.59 -21.07 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 53.53 109.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.05 -38.76 69.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 63.31 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 10.3 ptt85 -74.58 -43.56 55.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 71.13 110.297 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.965 HD12 ' O ' ' A' ' 17' ' ' GLU . 1.8 mt -60.94 -21.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 61.13 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.12 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 52.22 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.2 -14.91 34.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 73.31 109.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.588 ' CG ' ' CE2' ' A' ' 25' ' ' PHE . 8.6 tpt180 -101.57 -61.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 75.1 110.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CE2' ' CG ' ' A' ' 24' ' ' ARG . 1.6 m-85 -136.97 89.99 16.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 75.31 111.012 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.67 10.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.32 110.993 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -107.17 12.23 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 62.32 109.268 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -100.1 175.53 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 63.12 110.324 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.668 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.0 mt -136.11 96.44 12.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 75.4 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HB3' HD13 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.01 82.4 2.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 51.04 110.989 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.825 ' CG2' HD13 ' A' ' 105' ' ' LEU . 2.0 t -87.86 129.77 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 54.14 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -110.3 107.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.33 109.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -95.72 129.22 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 64.11 108.269 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.982 ' O ' HG23 ' A' ' 108' ' ' THR . 23.9 mt-10 -113.7 118.35 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 73.34 110.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.15 133.75 56.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 54.51 109.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -66.52 119.52 11.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 73.25 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -45.78 -39.62 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 75.4 110.264 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' SER . 28.8 mttm -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 74.31 109.294 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -39.47 134.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 72.3 109.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -96.95 27.69 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 74.4 109.336 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.504 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -99.95 162.19 21.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 74.15 109.314 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.39 17.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 64.43 110.985 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.72 170.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.14 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 68' ' ' ILE . 4.3 pt -119.21 173.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 63.45 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.72 -61.82 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 52.55 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -146.75 163.45 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 74.54 109.285 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.458 ' O ' HD11 ' A' ' 32' ' ' ILE . 52.0 mtt85 -101.75 101.19 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 62.33 110.301 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.56 133.18 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 65.13 109.329 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.456 ' CE2' ' CB ' ' A' ' 33' ' ' CYS . 89.9 m-85 -145.95 93.85 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 72.22 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -89.8 96.52 10.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 73.01 109.34 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.965 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.82 151.84 43.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 41.43 109.259 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.12 15.06 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 74.44 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.668 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -87.21 14.15 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 51.41 109.319 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -124.4 7.25 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 74.42 109.331 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 HG12 ' A' ' 51' ' ' VAL . 5.9 tt -96.65 155.2 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.31 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 p -108.78 154.92 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.02 110.387 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 61' ' ' VAL . 97.8 t -49.33 -38.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 61.54 109.321 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.485 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -40.18 -48.7 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 71.12 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 22.3 mm-40 -64.83 -49.32 71.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 75.23 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 31' ' ' VAL . 1.4 t80 -48.2 -51.59 24.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 75.22 111.039 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.772 HG22 HG13 ' A' ' 78' ' ' ILE . 3.8 t -62.58 -21.68 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 62.34 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -77.57 -61.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.44 111.044 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 60' ' ' PHE . 4.0 m -40.4 -43.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 70.3 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.631 HD11 ' CE1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -56.25 -57.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 75.54 109.3 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -47.24 -24.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 52.52 110.317 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.5 -45.21 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 75.43 109.241 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.549 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -57.93 -26.41 62.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 75.41 110.278 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.111 HD12 HD22 ' A' ' 70' ' ' LEU . 1.3 pt -111.23 -10.69 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 50.21 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 14.6 ptp 42.38 45.95 3.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.12 111.037 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.111 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -66.29 160.61 64.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 60.23 109.266 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 168.37 24.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.807 . . . . 75.1 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.08 9.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 72.02 110.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.57 -35.28 11.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.42 110.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -64.13 166.77 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 72.42 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.18 112.14 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 51.22 109.273 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.529 ' CD1' HD11 ' A' ' 68' ' ' ILE . 2.2 tt -104.19 165.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.13 109.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -156.59 141.02 16.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 71.24 111.02 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.772 HG13 HG22 ' A' ' 61' ' ' VAL . 9.3 mm -88.56 160.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 70.43 109.251 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 84' ' ' LEU . 65.1 m-85 -149.39 116.08 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.14 111.001 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.671 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.4 m -116.85 126.28 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 63.13 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.4 m120 50.64 57.8 6.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 65.23 109.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 44.89 47.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 73.21 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.647 HG22 HG22 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -140.11 -173.5 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 61.4 110.397 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.646 ' N ' HG23 ' A' ' 83' ' ' THR . 0.4 OUTLIER -144.0 95.0 5.75 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 62.22 109.283 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.59 42.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 64.34 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 72.34 111.025 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.485 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -86.06 -9.99 55.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 75.43 110.353 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.59 16.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 64.33 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -40.97 140.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 64.42 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.8 tp -90.1 134.36 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 74.45 109.262 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.608 ' CB ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -60.9 -17.27 49.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 74.34 111.009 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -73.27 -48.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 72.52 109.972 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -40.82 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 53.21 109.281 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.565 HG23 ' CD2' ' A' ' 98' ' ' HIS . 19.4 mm -54.84 -57.0 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 65.22 109.263 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.792 ' HB2' HD11 ' A' ' 105' ' ' LEU . 2.8 t80 -62.88 -31.78 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.43 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -67.78 -26.91 66.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 63.4 110.263 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -110.98 -1.44 16.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 70.21 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.775 ' O ' HD23 ' A' ' 105' ' ' LEU . 96.5 m-70 -126.19 19.47 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 44.24 109.565 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -84.47 137.37 33.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 74.24 109.276 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.61 179.94 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 64.13 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.0 -61.97 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 72.23 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.591 ' OD2' ' CE1' ' A' ' 11' ' ' PHE . 18.5 m-20 -47.71 -46.22 29.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 65.03 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 3.86 9.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.536 1.147 . . . . 62.42 110.974 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -94.19 132.94 38.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 74.43 110.99 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.825 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.0 mt -79.74 149.41 31.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.41 109.268 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 104' ' ' PHE . 98.3 m-85 -133.58 116.17 15.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 72.42 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.545 ' CG1' HG13 ' A' ' 31' ' ' VAL . 2.1 p -140.94 165.63 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 73.14 109.306 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.982 HG23 ' O ' ' A' ' 34' ' ' GLU . 3.5 m -144.87 139.91 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 73.35 110.359 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.504 ' CE2' HD11 ' A' ' 41' ' ' ILE . 14.3 p90 -126.69 152.72 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.24 111.046 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.0 t -144.41 169.26 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 71.15 109.984 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.63 21.78 24.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 73.54 111.044 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.3 157.35 43.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 53.55 110.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -93.92 70.58 4.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 74.3 109.29 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.481 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 4.2 p -143.16 147.75 35.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 61.34 110.376 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -94.36 0.27 55.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 73.13 110.993 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 53.11 111.018 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.528 0.204 . . . . 62.51 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -64.45 -69.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 64.54 109.303 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.432 ' HB3' ' CE1' ' A' ' 5' ' ' PHE . 9.3 t -103.38 158.06 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 72.13 109.981 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 p -107.79 -19.22 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 71.42 110.413 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -43.73 -26.53 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 62.02 110.969 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HG2' ' CE1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -59.44 -68.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 73.22 109.287 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 9' ' ' TYR . 33.7 t -84.61 -59.56 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 54.35 110.037 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -38.92 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 62.4 110.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' SER . 2.9 m-85 -136.09 89.83 19.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 75.13 111.025 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.18 39.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.542 1.812 . . . . 74.42 110.955 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CE1' ' CG ' ' A' ' 102' ' ' ASP . 0.5 OUTLIER -52.7 -66.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 70.24 111.02 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -38.95 -45.45 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 72.34 110.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -57.65 -70.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 74.34 109.294 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.42 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 25.3 mtt-85 -40.02 -58.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 75.11 110.335 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -41.59 -42.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 72.11 109.343 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -65.75 -60.21 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.11 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' OE1' ' NZ ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -39.65 -43.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 74.12 110.334 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -63.44 -46.6 85.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.02 109.965 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ALA . 7.4 mm-40 -50.96 -27.16 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 61.14 110.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -79.47 -50.85 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.795 HG21 ' HG3' ' A' ' 30' ' ' PRO . 19.3 mt -60.33 -24.83 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 72.2 109.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.51 -26.77 34.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 54.14 109.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.2 -15.03 32.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 71.52 109.246 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -105.72 -62.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 72.01 110.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 6.3 m-85 -121.95 76.29 39.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 71.13 111.027 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 74.25 110.977 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -102.84 14.34 32.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 63.42 109.256 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.4 mmt-85 -115.49 -177.93 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 75.13 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' VAL . 33.9 mt -147.69 91.44 4.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.21 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.795 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.95 100.9 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 73.23 111.03 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -85.54 163.85 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 65.4 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.935 ' CG2' HH21 ' A' ' 47' ' ' ARG . 18.5 mm -133.64 92.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 71.23 109.289 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 107' ' ' VAL . 1.7 m -93.26 157.37 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 51.14 108.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.907 ' O ' HG23 ' A' ' 108' ' ' THR . 1.7 pt-20 -146.72 118.85 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 71.21 110.3 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.805 ' HG2' HD11 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -57.12 132.56 53.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 71.54 109.327 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.534 ' HB3' ' OG ' ' A' ' 39' ' ' SER . . . -78.94 109.91 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 72.43 109.272 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 15.6 pt-20 -42.62 -47.86 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 71.32 110.316 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.36 -47.07 9.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 74.2 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -49.26 170.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 53.0 109.978 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.32 15.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.11 109.304 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.805 HD11 ' HG2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -72.68 160.41 82.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 70.13 109.276 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.569 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.0 126.88 10.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 74.31 110.985 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.66 158.38 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 61.43 110.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.812 ' CG2' HG23 ' A' ' 68' ' ' ILE . 47.4 pt -111.56 -174.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 71.2 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -82.48 -53.06 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 73.25 109.289 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -151.57 173.18 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.12 109.319 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.935 HH21 ' CG2' ' A' ' 32' ' ' ILE . 2.1 ptm180 -117.8 101.31 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 65.11 110.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 127.16 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 73.24 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.797 ' HB2' HG12 ' A' ' 31' ' ' VAL . 75.8 m-85 -145.15 98.7 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 74.53 110.971 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD21 HD13 ' A' ' 21' ' ' ILE . 11.8 mt -88.2 97.14 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 73.53 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.945 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.44 150.31 40.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 71.41 109.277 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.6 14.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 74.32 110.986 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HB1' ' OG ' ' A' ' 92' ' ' SER . . . -88.5 17.54 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 53.42 109.314 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -124.62 1.9 8.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 64.23 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.945 HD13 HG12 ' A' ' 51' ' ' VAL . 6.9 tt -89.93 156.34 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 74.42 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -108.05 159.59 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 52.35 110.398 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' PHE . 92.0 t -54.04 -47.37 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 55.33 109.324 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.05 -56.22 2.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 73.35 111.004 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -49.27 -41.6 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 72.34 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.767 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 2.7 t80 -56.23 -60.47 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 73.53 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -40.68 -29.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 52.44 109.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.446 ' N ' ' C ' ' A' ' 60' ' ' PHE . 10.6 t80 -86.05 -43.43 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 70.12 111.037 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.558 HG12 ' CD1' ' A' ' 49' ' ' TYR . 15.4 t -55.5 -38.02 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 55.25 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' A' ' 60' ' ' PHE . 3.6 mp -68.47 -57.83 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 65.12 109.301 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 72' ' ' PRO . 24.8 ttp180 -39.01 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 74.12 110.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -73.62 -53.12 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 61.25 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.611 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -51.31 -21.11 1.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.431 1.082 . . . . 74.24 110.28 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.993 HD12 HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -108.13 -21.16 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 44.51 109.284 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ARG . 1.1 mtt 68.52 27.08 6.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.51 110.969 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.993 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -64.05 156.12 75.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 75.33 109.316 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.54 20.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 53.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 18.3 Cg_endo -75.03 -3.24 13.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.821 . . . . 74.54 111.017 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -91.63 -35.28 14.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.41 110.279 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 172.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 71.34 109.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.31 106.06 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 40.3 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.757 HD12 ' CD1' ' A' ' 68' ' ' ILE . 2.8 tt -100.33 132.2 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 73.12 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 112' ' ' GLU . 23.6 m-85 -105.56 146.71 29.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 51.01 110.994 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.54 HG22 ' CG2' ' A' ' 107' ' ' VAL . 3.4 mm -109.43 139.41 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 54.21 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 94.6 m-85 -124.99 111.24 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.13 110.946 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.712 ' O ' HG22 ' A' ' 83' ' ' THR . 41.2 t -98.49 121.71 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 71.44 109.316 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' VAL . 9.6 m-80 40.35 53.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.13 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 56.04 43.85 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.42 109.274 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -142.18 155.73 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 63.34 110.399 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.527 HD13 ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -127.48 92.27 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 75.25 109.31 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.93 25.95 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.463 1.77 . . . . 74.32 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.09 173.2 14.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.536 1.809 . . . . 51.13 110.983 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.63 -11.27 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.03 110.377 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -26.71 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 53.13 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.476 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -45.96 139.66 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.31 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -88.96 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 65.21 109.292 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 81.2 mmm -66.4 -9.31 32.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 63.23 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.437 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 7.9 t -86.31 -43.11 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 72.05 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.97 -28.39 32.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 72.24 109.29 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 94' ' ' ILE . 15.7 mm -70.01 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.52 109.292 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 1.8 t80 -58.33 -25.46 61.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 61.45 111.03 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -71.1 -35.67 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 64.53 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -99.43 -1.89 37.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 72.13 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.418 ' O ' HD12 ' A' ' 105' ' ' LEU . 30.1 m-70 -126.06 10.76 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.12 109.594 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.17 134.45 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 72.11 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -78.3 178.57 7.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 73.35 109.242 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -80.02 -15.52 57.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 72.43 109.293 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.485 ' CG ' ' CE1' ' A' ' 11' ' ' PHE . 5.5 m-20 -104.43 10.73 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.01 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.81 -59.84 3.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 63.24 111.019 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -44.15 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 74.54 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 95' ' ' TYR . 8.1 tp -115.05 122.12 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 75.45 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.0 114.75 27.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 72.41 110.977 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -140.56 159.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 53.13 109.31 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.907 HG23 ' O ' ' A' ' 34' ' ' GLU . 52.6 m -143.9 125.69 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.02 110.368 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 5.5 p90 -107.4 155.63 19.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 71.43 111.005 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.4 t -151.85 133.28 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 62.43 109.977 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.432 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -48.41 -25.9 4.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 62.53 111.036 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 17.1 pt-20 -91.21 -179.48 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 65.35 110.306 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 10.8 t-20 -119.6 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 51.12 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.59 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.0 p -102.82 130.02 49.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 63.42 110.394 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.417 ' CZ ' HD22 ' A' ' 84' ' ' LEU . 17.2 m-85 -98.94 4.53 47.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 75.11 110.997 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.556 1.16 . . . . 71.5 111.018 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.53 0.205 . . . . 53.11 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -83.4 -71.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 75.3 109.245 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.557 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 84.9 p -133.95 93.92 3.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 24.34 109.996 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 7' ' ' SER . 2.3 p -81.46 -22.75 37.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 51.02 110.392 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 3' ' ' SER . 0.7 OUTLIER -41.86 -27.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 74.32 110.951 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 14.1 tppt? -68.65 -48.65 63.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 64.12 109.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' THR . 28.9 t -92.55 -64.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 54.5 110.011 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' THR . 10.0 tp10 -38.8 -42.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 30.35 110.267 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -125.76 159.41 61.31 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 64.23 111.003 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.31 33.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 53.35 110.965 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -81.61 -15.39 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 74.44 110.938 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -85.79 -16.23 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 61.3 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -58.26 -42.42 86.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.53 109.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -88.51 -31.46 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 73.42 110.305 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -64.97 -24.46 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.33 109.271 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.7 -52.43 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.05 109.321 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -54.53 -33.77 60.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 72.42 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -69.77 -42.7 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.01 109.983 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -50.33 -33.69 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.33 110.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -79.31 -52.69 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 73.41 110.235 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.678 HG21 ' HG3' ' A' ' 30' ' ' PRO . 15.9 mt -58.37 -21.4 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 71.13 109.284 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.43 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 70.31 109.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.84 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 75.53 109.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 27.3 tpt180 -99.61 -58.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 72.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.496 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 10.8 m-85 -122.78 75.12 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 65.44 110.982 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 75.02 110.994 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -104.76 -6.09 20.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 75.53 109.301 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 71.2 mmt-85 -93.82 -177.9 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 73.4 110.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.831 HG23 ' CD2' ' A' ' 95' ' ' TYR . 23.2 mt -148.51 92.56 4.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 73.04 109.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.678 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.1 Cg_endo -75.06 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 71.52 110.97 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.628 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -85.67 160.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 55.32 109.257 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 104' ' ' PHE . 7.7 mm -135.55 92.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 64.43 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.3 p -94.56 155.33 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 55.11 108.255 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.008 ' O ' HG23 ' A' ' 108' ' ' THR . 9.6 mt-10 -140.56 120.77 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 71.54 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -58.42 134.77 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 54.32 109.349 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.34 121.92 18.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 74.43 109.296 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.3 pt-20 -56.77 -42.47 79.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 43.14 110.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -58.78 -24.52 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 72.14 109.269 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.426 ' OG ' HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -60.24 176.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.45 109.988 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -133.01 15.1 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 64.53 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.594 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -81.4 163.17 55.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 73.02 109.288 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.491 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.98 123.25 7.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 75.25 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.32 170.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 74.11 110.284 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.635 HG21 ' HB3' ' A' ' 67' ' ' ARG . 7.9 pt -117.74 -174.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 73.01 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -77.15 -57.1 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 74.52 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -151.61 169.24 22.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.22 109.328 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -108.77 101.73 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 53.35 110.268 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -159.07 109.51 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 74.13 109.289 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.729 ' CE1' HG12 ' A' ' 63' ' ' VAL . 33.2 m-85 -133.6 93.84 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 60.23 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 5.8 tp -84.1 98.03 9.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 61.31 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.724 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.23 155.17 42.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 61.14 109.296 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.57 14.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 45.31 111.058 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -88.71 18.33 4.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 55.2 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -119.29 -4.16 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.42 109.325 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.724 HD13 ' CG1' ' A' ' 51' ' ' VAL . 8.3 tt -85.64 158.53 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.1 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 90' ' ' LEU . 11.6 p -118.61 156.1 29.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 44.34 110.427 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 61' ' ' VAL . 50.9 t -43.6 -48.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 64.51 109.305 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -62.18 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 71.34 111.03 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.31 -58.76 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 74.45 110.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 64' ' ' ILE . 29.0 t80 -45.59 -53.66 8.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 73.53 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 57' ' ' VAL . 28.9 t -42.92 -35.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 75.11 109.33 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.4 -42.0 21.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 54.3 110.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.729 HG12 ' CE1' ' A' ' 49' ' ' TYR . 3.3 t -46.11 -45.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 65.01 109.265 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 60' ' ' PHE . 1.9 mp -66.02 -49.94 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 73.52 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 1.018 HH21 HG22 ' A' ' 76' ' ' ILE . 13.6 ttm180 -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 74.34 110.285 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 75.24 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.635 ' HB3' HG21 ' A' ' 44' ' ' ILE . 2.1 mmp_? -55.77 -30.9 62.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 71.41 110.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.007 HD12 HD22 ' A' ' 70' ' ' LEU . 1.9 pt -102.99 -12.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 70.14 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.7 ptp 41.39 49.59 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 63.04 110.968 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.007 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -70.08 157.19 90.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.53 109.272 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.52 22.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 64.23 110.962 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.37 11.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 74.13 111.022 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.55 -27.8 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 73.41 110.317 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 177.88 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.54 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.16 106.58 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 64.52 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.018 HG22 HH21 ' A' ' 65' ' ' ARG . 5.1 tt -108.07 164.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.14 109.342 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 76' ' ' ILE . 79.6 m-85 -153.63 136.69 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 71.15 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.623 HG12 HG22 ' A' ' 61' ' ' VAL . 3.0 mm -93.56 145.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.31 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 114' ' ' THR . 3.2 m-85 -129.99 133.45 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 62.34 110.991 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.636 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 p -117.13 132.56 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.41 109.298 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 m120 49.56 48.43 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 62.05 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.31 29.27 14.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.04 109.319 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.669 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -130.33 -173.5 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.31 110.4 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.669 ' N ' HG23 ' A' ' 83' ' ' THR . 0.2 OUTLIER -133.74 100.65 13.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.14 109.293 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.4 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.79 . . . . 72.11 111.016 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.7 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.05 161.61 38.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 62.4 110.963 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 87' ' ' THR . 0.7 OUTLIER -84.99 4.39 34.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 63.22 110.366 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.71 -16.71 13.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 64.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.7 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . . . -58.0 144.75 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 63.2 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.638 HD12 HG22 ' A' ' 56' ' ' THR . 5.8 tp -95.14 130.7 41.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 61.55 109.25 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 87.6 mmm -58.35 -15.83 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 64.21 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.581 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 85.3 p -74.13 -49.35 24.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.32 110.034 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.42 65.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 75.14 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 98' ' ' HIS . 17.4 mm -68.03 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 71.25 109.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.831 ' CD2' HG23 ' A' ' 29' ' ' ILE . 2.3 t80 -58.8 -16.33 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 71.41 110.98 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -74.89 -36.27 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.45 110.305 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.82 -0.8 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 64.51 110.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' ILE . 47.4 m-70 -116.66 19.75 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 73.45 109.596 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 127.52 35.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 52.32 109.3 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.34 179.82 4.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.43 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -65.39 -31.75 73.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.14 109.284 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.77 -19.2 64.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 74.44 109.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.19 -7.27 82.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 75.05 110.957 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CD1' HG13 ' A' ' 32' ' ' ILE . 2.1 m-85 -97.19 177.81 5.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 72.33 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.667 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -106.48 154.9 20.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 44.53 109.305 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -121.15 103.75 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 75.11 111.023 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.558 ' CG2' HG22 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -135.09 163.83 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 72.22 109.302 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 1.008 HG23 ' O ' ' A' ' 34' ' ' GLU . 55.2 m -153.9 118.31 4.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.22 110.401 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.594 ' HE1' HD11 ' A' ' 41' ' ' ILE . 19.7 p90 -101.56 155.14 18.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 75.21 111.005 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.452 ' O ' ' CG1' ' A' ' 76' ' ' ILE . 4.1 t -154.68 169.74 23.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 60.25 109.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.09 -2.5 90.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.555 1.159 . . . . 74.21 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 114' ' ' THR . 12.3 tp10 -105.99 166.56 10.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 72.41 110.336 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.496 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -103.96 54.88 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 62.25 109.299 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 2.8 p -108.98 170.88 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 73.4 110.371 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -91.46 -5.28 54.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 75.13 110.988 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 71.03 110.994 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.499 0.19 . . . . 73.52 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -46.93 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 72.45 109.322 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -128.13 94.71 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 60.24 109.965 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' GLU . 3.0 p -54.31 -38.32 65.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 75.55 110.445 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -49.65 -23.96 1.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 75.43 111.039 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 74.24 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -100.35 -45.72 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 74.21 109.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' THR . 5.8 tp10 -39.72 -47.59 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 54.01 110.318 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -116.88 159.07 42.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 71.04 111.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 167.57 26.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 75.04 110.984 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' A' ' 102' ' ' ASP . 0.8 OUTLIER -82.2 -38.17 24.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 54.1 110.982 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -61.88 -15.51 43.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 70.32 110.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -49.13 23.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 72.13 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -66.46 -20.49 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.11 110.278 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -84.17 -41.41 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 73.12 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.52 84.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 75.42 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 7.1 pt-20 -64.06 -34.12 77.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.31 110.236 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -84.9 -11.27 55.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.25 110.001 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' LYS . 4.3 mm-40 -79.93 -35.8 37.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 74.51 110.272 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 1.9 ptp180 -77.81 -43.36 30.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 75.3 110.325 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 4.5 mt -70.15 -18.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 52.34 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 18' ' ' SER . . . -85.44 -44.54 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 75.13 109.331 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.67 -42.21 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 75.13 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.52 -55.02 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 70.14 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 1.8 m-85 -134.11 83.22 45.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 74.35 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.13 9.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 75.34 110.988 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -96.93 -5.68 37.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 71.54 109.276 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.806 ' HG3' HD11 ' A' ' 50' ' ' LEU . 9.2 mmp_? -89.23 -177.97 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 73.24 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 53' ' ' ALA . 4.3 mt -147.49 91.48 5.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 73.41 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.5 Cg_endo -74.94 86.63 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 73.41 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.648 HG13 ' HB3' ' A' ' 105' ' ' LEU . 44.9 t -85.71 145.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 73.44 109.341 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 47' ' ' ARG . 1.7 mm -111.95 91.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.34 109.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -70.52 157.07 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 71.11 108.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.549 ' OE2' HG22 ' A' ' 32' ' ' ILE . 12.8 mp0 -126.13 156.91 39.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 75.23 110.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.697 ' HZ2' ' C ' ' A' ' 42' ' ' PRO . 4.0 tptm -97.5 132.42 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 65.24 109.304 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.59 107.91 20.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 75.1 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 12.4 pt-20 -69.06 -43.65 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 65.51 110.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 5.5 mmmt -45.53 -31.53 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.45 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t -72.99 169.55 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 73.05 109.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.14 32.36 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 62.53 109.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -108.59 153.7 42.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 71.13 109.255 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.697 ' C ' ' HZ2' ' A' ' 35' ' ' LYS . 18.1 Cg_endo -75.06 161.54 38.43 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 74.4 110.958 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' N ' ' HZ2' ' A' ' 35' ' ' LYS . 19.5 tt0 -79.2 167.64 20.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 72.42 110.338 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 68' ' ' ILE . 6.7 pt -111.06 179.24 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 74.31 109.333 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -78.29 -52.13 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 61.15 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -156.62 -174.32 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 70.14 109.336 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.718 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -120.73 103.95 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 73.31 110.306 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -158.81 111.18 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 62.4 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 33' ' ' CYS . 69.6 m-85 -136.75 94.97 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 72.31 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.806 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.7 tm? -88.56 93.43 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 70.22 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.702 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.9 153.7 44.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 72.13 109.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 71.33 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -90.25 19.1 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.34 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -124.49 1.97 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 73.01 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.702 HD13 HG12 ' A' ' 51' ' ' VAL . 5.5 tt -92.21 155.47 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 53.1 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 13.4 p -105.1 160.73 14.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 73.33 110.377 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 61' ' ' VAL . 89.6 t -51.16 -43.53 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 75.43 109.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.18 -63.44 2.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 70.24 110.992 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.526 ' HB2' HD11 ' A' ' 55' ' ' LEU . 9.7 mm100 -44.76 -47.89 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 64.35 110.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CE2' HD11 ' A' ' 64' ' ' ILE . 16.3 t80 -59.6 -40.73 88.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 74.51 111.0 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.964 HG22 HG13 ' A' ' 78' ' ' ILE . 14.8 t -60.07 -16.58 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 72.3 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.4 ' HD1' HH21 ' A' ' 65' ' ' ARG . 1.2 t80 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 75.21 111.013 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.18 -38.52 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.33 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' CE2' ' A' ' 60' ' ' PHE . 1.7 mp -69.23 -46.93 76.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 73.33 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.4 ttp180 -54.3 -18.83 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 64.01 110.301 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -50.48 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 73.23 109.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.531 ' HB3' HG22 ' A' ' 44' ' ' ILE . 3.5 mmp_? -54.05 -27.2 30.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.55 110.348 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.973 HD12 HD12 ' A' ' 70' ' ' LEU . 1.2 pt -108.0 -15.17 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 71.15 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.9 ptp 41.35 50.37 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 73.11 110.973 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.973 HD12 HD12 ' A' ' 68' ' ' ILE . 6.4 mt -64.55 161.41 44.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 55.32 109.247 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.35 40.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 63.01 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.782 . . . . 63.13 111.029 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -98.49 -20.57 17.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 72.13 110.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' CD ' HD22 ' A' ' 70' ' ' LEU . 3.3 mttm -84.82 172.34 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 65.11 109.287 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.25 111.74 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 42.42 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.789 HD11 ' HD1' ' A' ' 109' ' ' TYR . 2.5 tt -103.12 157.2 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 74.32 109.272 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.616 ' O ' HD13 ' A' ' 78' ' ' ILE . 57.1 m-85 -137.15 167.51 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 62.45 110.976 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.964 HG13 HG22 ' A' ' 61' ' ' VAL . 5.1 mm -123.77 133.89 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 73.34 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CE1' HD12 ' A' ' 84' ' ' LEU . 3.8 m-85 -120.97 151.55 39.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.01 111.016 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -145.01 122.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 43.15 109.284 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m120 60.43 38.5 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 75.44 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.57 38.23 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 65.03 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -133.16 -173.72 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 64.45 110.374 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.548 ' N ' HG23 ' A' ' 83' ' ' THR . 1.5 tt -141.9 93.08 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 74.04 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.92 40.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 72.05 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.89 30.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 70.43 110.993 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -80.12 -13.77 59.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 71.25 110.402 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.43 -28.8 24.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 64.31 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.534 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -44.33 138.26 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 63.43 109.25 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -88.13 137.75 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.24 109.262 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 mmm -67.57 -8.21 32.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.11 111.012 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -89.4 -40.51 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 75.3 109.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.79 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 62.31 109.274 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.747 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.1 mm -65.39 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.41 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.621 ' HB2' HD22 ' A' ' 105' ' ' LEU . 1.6 t80 -59.51 -23.45 62.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 73.55 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.91 -36.6 84.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 42.1 110.297 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.8 -0.68 16.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 71.4 110.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.747 ' CD2' HG23 ' A' ' 94' ' ' ILE . 86.4 m-70 -114.01 -7.06 13.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 73.54 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.83 140.4 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 64.14 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.428 ' HB2' ' CD1' ' A' ' 106' ' ' TYR . 5.0 t0 -96.92 179.81 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.52 109.279 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -73.24 -21.79 60.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 73.15 109.234 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.541 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.0 p30 -90.9 15.12 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 51.35 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.89 -55.25 3.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 75.35 110.959 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 18' ' ' SER . 2.0 m-85 -51.31 -175.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 60.33 111.025 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.648 ' HB3' HG13 ' A' ' 31' ' ' VAL . 7.7 tp -120.23 159.27 25.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 74.43 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -129.07 101.35 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 75.5 111.031 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.503 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -130.43 153.51 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 55.32 109.36 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.451 HG23 ' CB ' ' A' ' 34' ' ' GLU . 4.0 m -138.55 132.62 31.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 75.41 110.431 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.789 ' HD1' HD11 ' A' ' 76' ' ' ILE . 53.3 p90 -101.6 147.41 26.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 75.24 110.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.9 m -140.24 143.47 36.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 71.14 110.029 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.5 -7.87 48.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 54.44 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.825 ' HG3' HG23 ' A' ' 114' ' ' THR . 12.1 tp10 -105.97 165.58 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 51.01 110.286 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.572 ' ND2' ' CE2' ' A' ' 77' ' ' PHE . 34.6 t-20 -101.24 62.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 40.11 109.299 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.825 HG23 ' HG3' ' A' ' 112' ' ' GLU . 52.2 p -120.62 -179.42 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 75.22 110.382 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.41 ' CD2' ' HA ' ' A' ' 83' ' ' THR . 3.2 m-85 -106.41 -2.67 21.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 74.43 111.02 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 63.01 110.998 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.519 HH21 HG21 ' A' ' 32' ' ' ILE . 12.3 ttt180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.273 -0.269 . . . . 64.34 110.273 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -58.53 -21.4 52.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 72.25 109.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.48 -60.22 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 54.42 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -46.85 -25.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.43 110.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 t -81.42 -41.31 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 65.23 110.014 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -49.81 -34.91 21.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 72.04 110.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -79.2 -42.98 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.22 110.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.8 mt -63.38 -21.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 44.12 109.34 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -41.23 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.41 109.295 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.72 -28.29 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 70.24 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.3 mmt180 -86.35 -52.17 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 72.42 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 2.3 m-85 -137.49 78.4 38.15 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 73.22 110.996 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 65.23 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.62 14.7 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 61.15 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.517 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.7 mpt_? -107.06 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 63.24 110.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' VAL . 12.4 mt -146.47 90.52 5.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 64.13 109.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -75.01 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 72.21 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 5.7 t -85.78 131.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.04 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.626 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -106.67 93.51 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 64.25 109.262 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.464 ' HG ' ' HD2' ' A' ' 109' ' ' TYR . 6.7 t -80.77 157.32 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 51.02 108.344 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.984 ' O ' HG23 ' A' ' 108' ' ' THR . 23.9 mt-10 -136.41 120.1 17.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 71.25 110.286 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CE ' HG12 ' A' ' 41' ' ' ILE . 2.9 tmtt? -40.49 141.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 72.54 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.972 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -99.01 110.16 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 70.03 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 13.3 pt-20 -55.78 -47.71 76.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.21 110.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 4.6 mmmt -40.56 -57.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 72.34 109.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 p -50.72 176.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 55.41 110.04 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -128.47 15.1 6.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 73.52 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.867 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -74.25 162.02 75.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 74.03 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.403 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.05 130.42 13.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 41.33 111.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.93 170.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 63.21 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.729 HG23 HG23 ' A' ' 68' ' ' ILE . 4.9 pt -110.2 -172.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 54.4 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -88.84 -49.72 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 55.05 109.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -149.29 164.67 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 73.04 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -112.45 101.96 10.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 75.14 110.258 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -158.74 131.88 7.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 75.33 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 64' ' ' ILE . 61.2 m-85 -147.62 106.76 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 73.22 111.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 30' ' ' PRO . 11.1 mt -103.47 93.48 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 65.03 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.457 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.87 156.18 42.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.33 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.07 15.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.507 1.793 . . . . 75.42 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.42 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 73.11 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -120.53 -2.67 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.53 109.306 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 59' ' ' GLN . 5.7 tt -92.58 156.57 17.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.02 109.362 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.627 HG22 ' CD1' ' A' ' 90' ' ' LEU . 11.9 p -113.2 164.86 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 54.42 110.352 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' VAL . 95.5 t -50.49 -41.49 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 74.51 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.444 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.81 -60.84 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 71.2 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.649 ' HB2' HD11 ' A' ' 55' ' ' LEU . 13.4 mt-30 -52.2 -53.1 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 73.25 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 37.4 t80 -47.17 -55.99 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 62.3 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.792 HG22 HG12 ' A' ' 78' ' ' ILE . 19.9 t -45.08 -31.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 64.41 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -80.56 -48.81 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 72.05 111.042 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 t -47.59 -53.56 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 72.23 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 49' ' ' TYR . 1.8 mp -55.18 -45.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 72.31 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' MET . 16.0 ttm180 -52.56 -20.51 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 72.51 110.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 11.0 mmmm -80.3 -47.56 14.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 62.22 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.503 ' HB3' HG21 ' A' ' 44' ' ' ILE . 5.7 mmp_? -57.06 -27.71 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.22 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 70' ' ' LEU . 1.3 pt -107.91 -12.77 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 52.44 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 13.7 ptp 40.56 51.55 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.24 110.977 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.91 HD12 HD12 ' A' ' 68' ' ' ILE . 8.9 mt -64.54 164.37 20.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 63.03 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.29 38.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 52.13 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.91 19.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 64.13 111.021 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -91.36 -18.02 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.35 110.264 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -90.22 176.33 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 71.25 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.06 111.82 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 50.12 109.286 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.603 HD12 ' CD1' ' A' ' 68' ' ' ILE . 7.7 tt -98.44 157.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 70.41 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 113' ' ' ASN . 47.2 m-85 -135.34 146.31 48.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 72.12 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.792 HG12 HG22 ' A' ' 61' ' ' VAL . 9.9 mm -96.42 148.83 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.43 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 1.102 ' CE2' HD12 ' A' ' 84' ' ' LEU . 41.4 m-85 -139.92 141.73 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 73.33 110.954 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.744 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -132.67 133.79 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 72.23 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.619 HD22 ' N ' ' A' ' 81' ' ' ASN . 1.3 m-80 50.69 43.84 27.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 74.52 109.276 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.7 40.93 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 71.4 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.744 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -135.24 -173.74 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.53 110.425 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.102 HD12 ' CE2' ' A' ' 79' ' ' PHE . 3.4 tt -141.24 93.51 8.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 55.33 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 158.82 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 65.45 111.018 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.789 . . . . 74.12 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.444 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -79.54 -21.39 45.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 61.35 110.373 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.79 -35.01 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 73.43 109.247 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.04 139.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 71.52 109.32 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.627 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.0 tp -90.63 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 73.15 109.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.6 mmm -63.72 -12.8 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.1 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -88.52 -41.08 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 72.02 109.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.49 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 62.53 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.896 HG23 ' CD2' ' A' ' 98' ' ' HIS . 18.3 mm -64.79 -61.28 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 64.12 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.1 t80 -55.85 -24.85 39.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.23 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.79 -40.09 94.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.41 110.334 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.8 -0.74 23.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 70.33 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.896 ' CD2' HG23 ' A' ' 94' ' ' ILE . 80.5 m-70 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 75.44 109.583 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -52.73 145.2 12.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 71.2 109.32 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.41 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 1.9 t70 -100.72 180.0 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 73.54 109.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.37 -17.34 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 74.53 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -89.67 -15.05 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 55.21 109.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.6 -55.89 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 53.04 111.037 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.626 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -51.84 177.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 74.42 110.951 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 105' ' ' LEU . 7.7 tp -116.94 157.57 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 71.25 109.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.595 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.79 101.12 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.35 111.026 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -126.49 163.94 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 55.43 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.984 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.1 m -147.42 136.5 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 42.51 110.422 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.867 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.2 p90 -109.8 149.73 29.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 61.4 110.984 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -146.46 140.25 26.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 75.12 109.971 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.01 -16.42 32.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 42.43 110.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -106.25 157.85 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 75.55 110.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 38.8 t-20 -96.44 60.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 74.52 109.278 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.3 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.42 110.405 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.285 -0.265 . . . . 70.45 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -44.4 -44.37 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 73.03 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 18' ' ' SER . . . -64.89 -60.13 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.41 109.315 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 73.52 110.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' ALA . 28.3 t -82.74 -51.54 7.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 62.12 109.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -49.62 -27.09 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 70.44 110.302 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -81.87 -51.58 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.44 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 30' ' ' PRO . 31.9 mt -60.82 -19.16 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 63.22 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.95 -37.02 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 62.42 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.3 -28.17 66.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 71.13 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.554 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.12 -49.13 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 74.24 110.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.1 m-85 -131.88 80.48 65.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.02 110.999 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.18 19.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 62.01 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -100.59 28.1 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 63.21 109.308 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HB3' HD11 ' A' ' 50' ' ' LEU . 62.2 mmt-85 -125.25 -177.92 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 73.44 110.326 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 15.4 mt -147.99 91.22 4.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 64.33 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.0 90.45 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 51.21 111.008 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.631 HG22 ' CB ' ' A' ' 105' ' ' LEU . 2.6 t -88.88 146.78 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 55.4 109.334 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -112.36 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 71.31 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.588 ' SG ' ' CE2' ' A' ' 109' ' ' TYR . 24.2 t -95.45 148.96 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 65.33 108.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 108' ' ' THR . 5.3 mt-10 -137.25 152.73 50.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 62.21 110.325 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 3.6 tmtt? -77.87 135.34 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 65.2 109.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.47 124.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 33.24 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.1 pt-20 -63.23 -47.78 81.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 74.2 110.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 6.5 mmmt -47.23 -41.36 18.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 73.4 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 177.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 73.43 110.001 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.81 22.15 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.04 109.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -91.13 157.31 43.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 71.12 109.326 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 138.06 22.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 75.31 110.973 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.69 169.42 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 72.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.567 HG23 HG23 ' A' ' 68' ' ' ILE . 8.9 pt -112.01 179.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 71.04 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -63.14 -62.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 71.41 109.326 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -152.87 -175.84 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 74.33 109.316 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.701 ' O ' HD13 ' A' ' 32' ' ' ILE . 7.5 mtm-85 -110.4 101.91 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.2 110.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -158.76 104.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 64.12 109.262 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 76.3 m-85 -126.46 93.78 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 73.45 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 28' ' ' ARG . 2.5 tp -95.46 94.82 8.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.15 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -112.56 155.52 43.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 74.21 109.291 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.15 15.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 75.53 110.996 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.3 17.12 6.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 71.44 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -114.11 -11.64 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.13 109.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 59' ' ' GLN . 6.2 tt -85.78 156.56 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.14 109.347 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.474 HG22 HD12 ' A' ' 90' ' ' LEU . 12.0 p -113.69 167.22 10.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 73.42 110.386 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.7 -43.43 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 64.24 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.442 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -41.39 -62.7 1.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 72.25 110.956 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.596 ' HB2' HD11 ' A' ' 55' ' ' LEU . 5.2 mt-30 -45.42 -50.09 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 72.13 110.287 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.613 ' CE2' HD11 ' A' ' 64' ' ' ILE . 7.7 t80 -48.44 -48.01 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.15 110.977 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.806 HG22 HG13 ' A' ' 78' ' ' ILE . 20.0 t -51.87 -32.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 62.01 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.59 ' HD1' HH21 ' A' ' 65' ' ' ARG . 1.9 t80 -81.16 -50.46 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.22 110.982 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 t -46.87 -45.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 50.44 109.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' A' ' 60' ' ' PHE . 2.1 mp -64.78 -55.01 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 74.12 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.59 HH21 ' HD1' ' A' ' 62' ' ' TYR . 20.3 ttp180 -46.46 -24.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.53 110.313 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 64' ' ' ILE . 27.4 mmtp -79.63 -44.49 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 54.22 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.516 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.8 mmt-85 -62.6 -27.09 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 74.5 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.73 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.3 pt -107.83 -8.46 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 72.15 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' ARG . 12.4 ptp 39.61 54.13 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 74.13 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.6 mt -68.7 163.77 51.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 63.43 109.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 158.02 42.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 60.41 110.972 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.16 10.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 72.51 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -99.45 -17.2 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 72.15 110.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -91.69 176.94 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 74.14 109.258 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.22 110.36 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 72.11 109.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.57 HD12 ' CD1' ' A' ' 68' ' ' ILE . 10.5 tt -93.84 141.42 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 72.03 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 85.6 m-85 -109.46 165.87 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 72.34 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.806 HG13 HG22 ' A' ' 61' ' ' VAL . 3.9 mm -122.58 134.87 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 70.3 109.264 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.733 ' CE2' HD13 ' A' ' 84' ' ' LEU . 74.4 m-85 -130.81 131.93 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.21 110.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.634 ' O ' HG22 ' A' ' 83' ' ' THR . 1.5 p -135.23 140.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 63.3 109.267 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.46 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 2.0 m-80 49.54 32.93 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 73.21 109.326 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 64.23 36.87 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 70.24 109.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -137.32 -173.7 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 75.1 110.43 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.733 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -144.8 92.98 5.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 71.23 109.321 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.2 Cg_endo -75.0 169.11 23.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.759 . . . . 75.01 110.989 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 75.04 110.999 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.442 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 1.2 t -84.78 -19.94 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 62.43 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.38 42.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 62.45 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -43.86 139.75 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.35 109.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD12 HG22 ' A' ' 56' ' ' THR . 7.2 tp -89.67 134.46 34.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 74.43 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.77 -15.83 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 53.11 110.945 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.2 p -81.79 -46.4 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.12 110.032 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.15 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 35.41 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.828 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.2 mm -69.02 -61.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 72.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 95' ' ' TYR . 2.2 t80 -59.41 -16.85 25.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 64.33 111.032 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -72.67 -38.82 67.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.52 110.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.58 -0.64 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 72.14 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.828 ' CD2' HG23 ' A' ' 94' ' ' ILE . 70.0 m-70 -108.41 -24.24 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 70.4 109.556 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -40.32 140.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 70.03 109.326 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.33 -179.96 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 64.42 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -72.86 -16.19 61.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 72.5 109.289 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -87.28 -20.51 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 73.04 109.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.17 -70.57 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 71.21 111.026 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 30' ' ' PRO . 1.8 m-85 -47.17 175.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 75.32 111.006 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 98' ' ' HIS . 7.7 tp -109.34 159.82 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 65.41 109.252 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.56 101.81 5.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 73.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.554 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -126.01 156.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 75.14 109.287 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 34' ' ' GLU . 86.8 m -149.88 134.77 17.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.35 110.398 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.612 ' CD2' HG21 ' A' ' 64' ' ' ILE . 2.8 p90 -113.34 157.38 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.31 110.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.7 p -143.38 127.9 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.11 110.04 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -42.64 -27.13 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 54.24 111.012 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -106.41 162.46 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 54.24 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 11.5 t-20 -90.07 62.33 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 60.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.533 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 70.52 110.41 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 104' ' ' PHE . 5.4 ttm105 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.284 -0.265 . . . . 74.35 110.284 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -42.94 -55.1 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 74.35 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.48 -47.48 69.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 63.05 109.312 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -48.21 -47.17 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 65.01 110.265 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -67.13 -44.54 79.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 41.43 110.049 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.93 -27.18 17.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 71.04 110.301 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -79.65 -38.01 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 71.14 110.315 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.737 HG21 ' HG3' ' A' ' 30' ' ' PRO . 27.7 mt -76.51 -22.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 63.24 109.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.07 -25.29 37.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 74.43 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -94.06 -15.55 24.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 71.53 109.334 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.74 -64.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 73.21 110.304 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.8 m-85 -120.44 80.2 29.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 73.33 111.0 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 60.1 110.992 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -95.99 16.12 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 70.31 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -115.54 179.79 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 74.34 110.339 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' VAL . 13.9 mt -150.19 90.35 4.4 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.23 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.737 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 74.43 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 105' ' ' LEU . 3.9 t -91.72 130.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 72.11 109.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 3.5 mm -97.98 92.04 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 72.44 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.2 t -89.31 138.59 31.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.42 108.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 1.3 pt-20 -128.65 141.5 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.02 110.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 109' ' ' TYR . 2.4 tmtt? -76.66 143.1 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 74.32 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.18 134.12 34.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 74.32 109.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.72 -46.48 75.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 65.11 110.36 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.73 -28.17 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 71.23 109.289 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -176.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 51.12 109.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.34 15.95 4.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 63.34 109.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -84.36 154.52 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.23 109.306 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.61 13.4 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 54.23 110.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -63.38 170.89 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 64.43 110.286 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 67' ' ' ARG . 3.1 pt -110.74 -175.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 63.44 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.28 -53.39 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.54 109.301 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -141.77 158.46 43.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 73.52 109.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 34' ' ' GLU . 28.3 mtm105 -107.94 101.89 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 74.33 110.328 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -158.74 124.47 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 63.11 109.283 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 92.9 m-85 -135.0 97.19 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 74.41 110.985 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 9.8 mt -94.32 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 71.53 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.576 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -113.24 155.65 44.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 72.4 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.497 1.788 . . . . 75.14 110.993 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 17.28 6.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 71.13 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -115.65 -9.05 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.42 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD13 ' CG1' ' A' ' 51' ' ' VAL . 6.9 tt -83.65 156.84 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 53.42 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -110.21 160.33 16.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 61.25 110.45 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.8 t -50.09 -50.01 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 73.53 109.295 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -61.09 1.45 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 64.11 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -43.21 -44.65 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 73.15 110.322 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' A' ' 64' ' ' ILE . 4.5 t80 -55.32 -62.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.44 110.995 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.867 HG22 HG12 ' A' ' 78' ' ' ILE . 21.8 t -40.48 -32.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 72.41 109.299 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.84 -48.1 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 71.34 110.99 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' PHE . 2.6 t -45.88 -55.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 74.53 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.745 HD11 ' CE1' ' A' ' 60' ' ' PHE . 2.3 mp -51.2 -52.14 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 72.33 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' MET . 22.7 ttm180 -45.55 -25.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 63.13 110.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -81.68 -42.69 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 75.03 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.632 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.3 mpt_? -60.77 -23.73 65.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.33 110.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.988 HD12 HD22 ' A' ' 70' ' ' LEU . 1.6 pt -116.51 -5.86 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 73.22 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.6 ptp 41.17 49.44 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 71.32 111.028 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.988 HD22 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -68.55 158.82 84.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 75.5 109.342 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.38 22.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 70.33 111.055 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.37 8.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.453 1.764 . . . . 71.34 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.78 -38.2 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 70.12 110.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 3.6 mttt -61.22 177.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.24 109.295 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.64 119.21 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 44.32 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.675 HD11 HD12 ' A' ' 41' ' ' ILE . 2.2 tt -112.36 154.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.44 109.302 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' C ' HD13 ' A' ' 78' ' ' ILE . 58.2 m-85 -140.21 155.1 47.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.35 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.867 HG12 HG22 ' A' ' 61' ' ' VAL . 3.3 mm -110.41 146.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 64.44 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.9 m-85 -137.53 121.59 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 73.34 111.013 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.738 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -114.13 126.73 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 65.33 109.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 52.1 54.13 11.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 74.53 109.317 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t0 48.32 44.68 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 71.25 109.294 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.738 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -138.15 -173.63 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 72.32 110.38 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.618 ' N ' HG23 ' A' ' 83' ' ' THR . 0.5 OUTLIER -146.45 92.5 5.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 75.11 109.318 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.05 36.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 52.05 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.72 22.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 60.04 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.4 -22.64 41.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 71.04 110.405 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.64 -34.21 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 60.22 109.273 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -40.54 137.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 70.51 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 90' ' ' LEU . 7.0 tp -89.55 137.29 32.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 54.42 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.7 mmm -63.91 -11.18 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 73.14 110.961 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -89.95 -42.59 11.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 64.24 109.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.13 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 61.11 109.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.864 HG23 ' CD2' ' A' ' 98' ' ' HIS . 16.2 mm -67.21 -61.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.3 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.8 t80 -56.57 -23.62 41.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 64.42 110.999 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.81 -41.0 92.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 64.15 110.255 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -105.32 -0.78 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 71.2 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.864 ' CD2' HG23 ' A' ' 94' ' ' ILE . 80.5 m-70 -112.03 -10.92 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 61.43 109.562 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.78 144.29 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 71.3 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.411 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 4.2 t70 -104.84 179.89 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 73.11 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -73.97 -15.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 72.14 109.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.84 12.51 31.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.33 109.305 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.6 -57.2 2.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 53.42 110.989 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 14' ' ' ARG . 3.7 m-85 -48.03 175.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 63.14 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.501 ' HB3' HG22 ' A' ' 31' ' ' VAL . 10.2 tp -123.08 122.43 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 72.1 109.299 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.39 118.88 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.54 111.018 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.508 HG13 ' HA ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -142.54 163.33 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 74.12 109.315 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.489 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 6.6 m -141.85 134.39 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 63.24 110.378 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.441 ' CD2' HG21 ' A' ' 64' ' ' ILE . 22.6 p90 -124.63 152.23 43.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 74.22 111.026 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -147.74 169.95 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.03 109.997 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.11 10.25 61.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 61.51 111.021 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -131.93 157.2 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 74.42 110.312 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -95.93 65.07 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.22 109.341 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.578 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 6.9 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 61.44 110.366 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.298 -0.26 . . . . 75.32 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -56.12 -38.28 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 74.43 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -53.04 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 52.11 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.66 -46.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 62.23 110.272 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -62.7 -45.39 92.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 61.45 110.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.9 mm-40 -50.73 -27.37 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 54.54 110.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 12.0 mtp-105 -79.91 -56.3 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 71.42 110.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.591 HG21 ' HG3' ' A' ' 30' ' ' PRO . 9.3 mt -59.72 -19.25 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.4 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.44 -32.05 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.34 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -86.56 -15.1 40.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 65.04 109.286 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.32 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 55.12 110.341 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 3.3 m-85 -127.44 77.68 75.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 62.52 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 73.14 111.019 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.37 13.29 27.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.22 109.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -109.99 -177.97 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 74.23 110.288 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.561 HD11 ' HA ' ' A' ' 53' ' ' ALA . 4.1 mt -145.17 92.24 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 54.53 109.337 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.1 Cg_endo -74.98 88.8 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 64.33 110.978 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.811 HG22 ' CB ' ' A' ' 105' ' ' LEU . 3.1 t -85.79 149.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 65.3 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.58 HG23 ' HD3' ' A' ' 47' ' ' ARG . 6.7 mm -122.78 92.07 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 74.03 109.313 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.58 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 23.3 t -88.54 150.43 23.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 53.14 108.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.971 ' O ' HG23 ' A' ' 108' ' ' THR . 7.2 mt-10 -136.18 140.73 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 74.12 110.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 1.1 tmtt? -74.11 134.76 42.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 72.33 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -70.08 116.0 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 61.11 109.312 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -54.87 -46.49 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 75.35 110.253 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -56.2 -29.82 61.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 74.45 109.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.592 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -58.18 179.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 74.12 110.031 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -129.08 22.14 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 62.04 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -92.64 154.75 42.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 75.24 109.326 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.6 Cg_endo -74.94 126.5 10.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.505 1.792 . . . . 74.42 110.992 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.38 170.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 71.44 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.794 HG23 HG23 ' A' ' 68' ' ' ILE . 7.5 pt -114.45 170.86 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.21 109.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.91 -61.53 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.41 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -174.95 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 73.54 109.334 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.58 ' HD3' HG23 ' A' ' 32' ' ' ILE . 1.8 ptp85 -110.66 101.88 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 75.14 110.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -158.86 107.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 71.44 109.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 96.7 m-85 -127.77 93.75 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 61.42 111.017 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -93.61 92.31 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.701 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.98 154.61 44.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.23 109.35 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.26 14.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 64.52 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -89.67 18.88 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 62.05 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.55 -0.41 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.15 109.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.701 HD13 HG12 ' A' ' 51' ' ' VAL . 5.9 tt -90.66 156.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.41 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.502 HG22 ' CD1' ' A' ' 90' ' ' LEU . 12.2 p -110.42 161.67 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 52.3 110.405 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 61' ' ' VAL . 87.7 t -50.36 -44.93 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 73.05 109.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -61.45 1.38 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 64.34 111.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.467 ' CB ' HD11 ' A' ' 55' ' ' LEU . 41.0 mt-30 -47.21 -41.68 18.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 73.15 110.317 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.503 ' CE2' HD11 ' A' ' 64' ' ' ILE . 9.5 t80 -59.79 -35.95 75.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 64.13 110.957 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.786 HG12 HH21 ' A' ' 65' ' ' ARG . 4.7 t -70.13 -16.37 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 74.31 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -85.71 -63.27 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 74.33 111.011 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.65 HG23 HD12 ' A' ' 64' ' ' ILE . 6.2 m -44.82 -47.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 53.03 109.304 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.65 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -57.44 -64.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 74.22 109.29 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.786 HH21 HG12 ' A' ' 61' ' ' VAL . 16.3 ttm180 -44.84 -27.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.43 110.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -80.28 -43.68 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.41 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.499 ' HB3' HG21 ' A' ' 44' ' ' ILE . 9.3 mmt-85 -60.39 -26.72 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 61.43 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.794 HG23 HG23 ' A' ' 44' ' ' ILE . 1.4 pt -107.56 -8.99 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.31 109.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 7.5 ptp 40.7 51.15 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 62.44 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.722 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.3 mt -64.63 164.11 22.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.24 109.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.84 42.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 73.01 110.976 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 73.25 111.003 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -100.96 -15.01 17.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 75.31 110.354 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -94.5 179.1 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.51 109.275 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.09 112.56 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 74.32 109.275 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.659 HD12 ' CD1' ' A' ' 68' ' ' ILE . 5.3 tt -97.54 134.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 64.32 109.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 95.3 m-85 -111.82 157.77 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 73.13 110.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.602 HG13 HG22 ' A' ' 61' ' ' VAL . 2.9 mm -113.33 142.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 73.41 109.262 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 84' ' ' LEU . 1.9 m-85 -137.5 127.32 25.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 72.11 111.029 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.715 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -120.13 134.53 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.32 109.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 46.18 54.48 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.1 109.269 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 t70 48.85 46.54 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 64.11 109.299 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -140.59 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.23 110.39 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.638 HD12 ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -145.94 91.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 74.23 109.271 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.91 43.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.81 . . . . 71.02 110.992 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -75.0 162.53 36.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 72.02 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -74.15 -20.36 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 73.3 110.379 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.78 -29.34 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 42.05 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.481 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -45.7 137.99 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 54.23 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.502 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.2 tp -88.45 133.22 34.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 73.11 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 76.0 mmm -60.23 -14.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 72.21 110.953 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.7 p -82.0 -42.78 18.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 34.15 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.05 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.41 109.252 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.763 HG23 ' CD2' ' A' ' 98' ' ' HIS . 41.7 mm -60.31 -61.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 71.12 109.354 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.834 ' CD2' HD23 ' A' ' 105' ' ' LEU . 1.2 t80 -55.24 -29.61 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 72.3 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 72.24 110.357 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -110.88 -6.16 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 75.22 110.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.763 ' CD2' HG23 ' A' ' 94' ' ' ILE . 97.0 m-70 -115.58 13.91 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 70.31 109.595 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -74.62 139.87 43.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 74.43 109.322 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -99.2 179.61 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.34 109.291 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -63.27 -61.86 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 74.31 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.88 -22.82 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 73.23 109.284 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.5 -20.3 37.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 32.51 111.016 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 32' ' ' ILE . 1.5 m-85 -58.61 170.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 64.3 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.834 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -114.42 134.98 54.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 64.12 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -106.67 105.33 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 73.32 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.482 HG11 ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.65 155.15 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 44.53 109.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.971 HG23 ' O ' ' A' ' 34' ' ' GLU . 56.7 m -155.86 135.64 12.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 73.24 110.413 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.58 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 1.8 p90 -110.12 -176.51 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 70.11 110.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.4 p -170.63 134.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 62.44 110.014 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.79 -20.65 6.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 63.1 110.961 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 113' ' ' ASN . 19.6 tp10 -106.94 160.11 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 74.33 110.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.485 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 24.1 t-20 -88.5 60.61 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 73.41 109.275 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.513 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.7 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 73.43 110.361 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.321 -0.252 . . . . 71.44 110.321 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -59.41 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 70.44 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.41 -53.8 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 64.45 109.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.98 -64.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.5 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -53.69 -32.94 53.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 51.25 109.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.69 -26.76 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 72.34 110.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.8 -56.85 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 71.3 110.286 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 15.2 mt -56.04 -21.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.1 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 26' ' ' PRO . . . -84.68 -40.18 17.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 72.42 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 75.02 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.91 -47.95 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 72.43 110.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 5.7 m-85 -126.33 71.64 71.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.44 110.96 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' CB ' ' O ' ' A' ' 22' ' ' ALA . 18.3 Cg_endo -75.0 -2.47 12.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 70.35 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.78 13.26 35.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 71.52 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.9 mmm-85 -113.97 -177.75 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.14 110.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.52 HG23 ' CD2' ' A' ' 95' ' ' TYR . 7.8 mt -144.62 90.83 6.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 73.5 109.264 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.99 92.65 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 73.23 111.004 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 60' ' ' PHE . 3.6 t -85.66 135.53 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 71.32 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.478 ' O ' HG22 ' A' ' 32' ' ' ILE . 12.3 mm -113.91 92.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 73.51 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.67 155.41 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 63.51 108.246 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.042 ' O ' HG23 ' A' ' 108' ' ' THR . 6.6 mm-40 -131.17 120.5 23.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 73.02 110.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -40.47 137.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 64.24 109.299 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.986 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -103.61 108.97 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 62.13 109.339 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -42.71 -47.06 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 71.32 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -43.51 -44.52 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.41 109.308 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.54 ' OG ' HG23 ' A' ' 41' ' ' ILE . 48.4 t -48.81 169.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.5 109.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -126.93 4.71 6.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 70.23 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.793 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -78.6 163.0 63.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 64.41 109.26 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.25 25.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 71.14 111.02 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.95 164.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 51.2 110.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.718 ' CG2' HG23 ' A' ' 68' ' ' ILE . 22.7 pt -111.18 -172.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 73.14 109.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.465 ' CB ' ' HD3' ' A' ' 46' ' ' LYS . 1.3 m-20 -85.32 -52.38 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 74.31 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.64 173.73 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 74.21 109.303 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.46 102.37 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 64.02 110.321 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -150.26 110.97 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 70.31 109.279 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.497 ' CE1' HG13 ' A' ' 64' ' ' ILE . 49.7 m-85 -132.56 93.83 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 74.23 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.1 tp -98.38 95.02 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 74.43 109.287 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.638 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.36 153.54 44.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.4 109.304 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.35 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 53.34 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -89.45 18.78 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 73.11 109.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -120.15 -3.07 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.51 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.638 HD13 ' CG1' ' A' ' 51' ' ' VAL . 3.9 tt -88.62 155.54 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 75.54 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -104.32 160.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 65.44 110.444 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.545 HG22 ' SD ' ' A' ' 91' ' ' MET . 55.0 t -52.41 -51.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 64.41 109.27 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.96 -52.23 2.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 54.02 111.023 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' HB2' HD11 ' A' ' 55' ' ' LEU . 14.5 mt-30 -50.67 -53.24 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 75.35 110.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.554 ' CE2' HG11 ' A' ' 31' ' ' VAL . 28.0 t80 -45.69 -58.49 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 71.53 111.028 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.764 HG22 HG12 ' A' ' 78' ' ' ILE . 39.3 t -43.76 -31.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.14 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 2.2 t80 -79.1 -43.72 23.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.32 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -49.19 -54.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 51.34 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.512 HD11 ' CE1' ' A' ' 60' ' ' PHE . 1.8 mp -53.51 -48.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 73.33 109.321 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' MET . 9.8 ttp180 -48.51 -23.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 75.55 110.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -77.57 -43.26 32.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 72.44 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -61.96 -29.31 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 71.44 110.292 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.954 HD12 HD22 ' A' ' 70' ' ' LEU . 1.6 pt -107.79 -3.19 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 65.01 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.1 ptp 40.46 49.15 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 71.22 111.017 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -69.64 156.12 92.26 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.54 109.299 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.55 1.816 . . . . 72.13 111.024 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.1 9.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 72.12 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -95.79 -36.53 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 73.52 110.299 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.83 174.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 64.21 109.317 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.24 107.4 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 55.11 109.333 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.754 HD13 HD11 ' A' ' 68' ' ' ILE . 1.3 tt -96.6 156.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 62.14 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -137.33 136.11 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 75.05 110.936 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.764 HG12 HG22 ' A' ' 61' ' ' VAL . 4.9 mm -99.65 141.57 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 74.3 109.245 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 89.6 m-85 -127.24 111.46 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 71.31 110.979 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.734 ' O ' HG22 ' A' ' 83' ' ' THR . 30.1 t -94.81 121.45 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.54 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 41.4 50.44 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 65.1 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.99 43.33 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 65.45 109.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -142.0 154.98 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 72.45 110.437 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -126.33 92.64 44.99 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 73.4 109.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 171.36 18.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 71.43 111.048 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.97 158.89 42.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 64.22 111.013 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -74.14 -11.67 60.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 60.5 110.411 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.64 19.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 65.02 109.334 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -46.24 138.27 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.23 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.6 tp -89.28 133.48 34.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 71.34 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.545 ' SD ' HG22 ' A' ' 57' ' ' VAL . 82.8 mmm -62.59 -12.09 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 71.24 110.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.569 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 52.5 p -82.23 -43.69 17.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 64.4 110.018 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.72 42.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 72.04 109.284 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.791 HG23 ' CD2' ' A' ' 98' ' ' HIS . 17.4 mm -67.91 -61.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 73.34 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.52 ' CD2' HG23 ' A' ' 29' ' ' ILE . 4.4 t80 -57.64 -23.69 52.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 73.43 111.035 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.11 -40.14 94.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.35 110.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.27 -0.71 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 71.22 110.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.791 ' CD2' HG23 ' A' ' 94' ' ' ILE . 81.3 m-70 -112.81 -7.89 13.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.44 109.587 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -53.6 135.82 39.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 61.5 109.318 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.464 ' CG ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -80.31 -179.99 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 64.44 109.347 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -82.05 -3.29 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.22 109.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -110.24 6.31 22.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 64.42 109.323 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.57 -64.4 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 41.24 111.018 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -45.95 172.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 75.53 111.003 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.516 HD22 ' HD2' ' A' ' 95' ' ' TYR . 8.7 tp -115.61 125.28 52.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.11 109.279 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.464 ' CD1' ' CG ' ' A' ' 100' ' ' ASP . 7.5 m-85 -94.3 113.8 25.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 43.42 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 78' ' ' ILE . 1.5 p -143.87 164.55 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 64.25 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 1.042 HG23 ' O ' ' A' ' 34' ' ' GLU . 85.9 m -141.01 133.29 28.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 65.04 110.434 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.793 ' HE1' HD11 ' A' ' 41' ' ' ILE . 4.2 p90 -109.64 144.03 38.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 63.44 110.955 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 39' ' ' SER . 79.9 p -147.03 143.86 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 71.22 110.021 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.423 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -66.17 -16.83 65.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 51.1 111.008 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.448 ' HG3' HG23 ' A' ' 114' ' ' THR . 15.2 tp10 -108.53 160.27 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 73.23 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 13.2 t-20 -90.34 64.8 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 73.23 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.573 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.9 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 74.15 110.344 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CD ' ' OH ' ' A' ' 106' ' ' TYR . 4.7 ptp85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.266 -0.272 . . . . 74.22 110.266 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 71.14 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -71.53 -58.53 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.15 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -39.02 -56.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.21 110.328 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 52.3 p -50.32 -42.73 53.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.31 109.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ALA . 5.0 mm-40 -63.0 -26.75 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 35.51 110.252 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -78.97 -53.59 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 51.45 110.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 23.6 mt -56.86 -18.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 63.02 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.19 -39.99 18.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 64.15 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.25 -34.77 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 51.3 109.261 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.47 -51.41 5.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 74.23 110.266 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.3 m-85 -125.83 71.95 68.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 72.14 111.018 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.5 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.9 -5.32 16.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 72.35 111.02 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -93.94 -5.52 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 74.1 109.281 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.1 mpt_? -96.49 -177.85 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 64.51 110.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.4 mt -146.02 91.64 5.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 44.14 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 74.25 111.026 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.805 HG22 ' CB ' ' A' ' 105' ' ' LEU . 14.0 t -104.0 139.33 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 60.54 109.322 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -103.02 92.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.44 109.323 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.4 t -81.29 126.19 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.01 108.328 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.918 ' O ' HG23 ' A' ' 108' ' ' THR . 26.6 mt-10 -118.89 118.81 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 54.03 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.489 ' CG ' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -63.34 150.45 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 73.04 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.75 115.66 28.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 60.12 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -49.82 -50.14 46.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 63.12 110.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -41.81 -32.33 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 51.33 109.273 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.519 ' OG ' HG23 ' A' ' 41' ' ' ILE . 6.6 t -59.41 -179.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 54.42 109.984 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -125.89 4.88 7.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 73.14 109.258 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.569 HD12 HD11 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -76.88 154.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 64.34 109.282 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 121.83 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 72.45 111.044 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -57.29 170.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.03 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.678 HG21 ' HB3' ' A' ' 67' ' ' ARG . 4.1 pt -109.21 170.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 70.23 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.92 -56.55 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.05 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -138.37 158.16 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 72.54 109.319 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.2 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 74.33 110.344 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -158.8 123.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 73.44 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 37.4 m-85 -136.5 104.59 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.14 111.018 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.6 tp -99.71 95.6 7.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 65.4 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.56 153.7 43.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 74.34 109.299 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.51 14.38 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.476 1.777 . . . . 75.53 111.05 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.84 18.47 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 54.2 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.36 -1.8 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 74.24 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 59' ' ' GLN . 6.4 tt -94.48 156.15 16.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 62.53 109.251 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.714 HG22 ' CD1' ' A' ' 90' ' ' LEU . 14.7 p -115.27 167.91 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 71.23 110.394 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.14 -43.68 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.23 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.473 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.12 -61.1 1.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 62.21 111.022 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.615 ' HB2' HD11 ' A' ' 55' ' ' LEU . 10.5 mt-30 -52.13 -44.28 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 70.11 110.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.85 -48.97 59.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.31 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.512 HG22 ' CG1' ' A' ' 78' ' ' ILE . 21.2 t -60.18 -21.93 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 44.34 109.266 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -82.71 -35.56 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 72.31 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 5.6 t -60.69 -57.9 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 63.42 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.677 HG22 HD11 ' A' ' 68' ' ' ILE . 2.9 mp -49.84 -55.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 61.32 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.5 ttp85 -42.01 -32.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 73.31 110.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -81.17 -43.47 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 73.3 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -60.24 -26.27 66.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.2 110.266 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.153 HD12 HD22 ' A' ' 70' ' ' LEU . 1.1 pt -113.79 -4.63 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 65.03 109.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.8 ptp 40.69 51.56 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 63.12 110.968 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.153 HD22 HD12 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -75.92 154.15 84.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 71.5 109.268 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.85 21.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 74.13 110.968 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.02 9.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 62.34 111.03 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -95.62 -30.2 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 74.02 110.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 168.25 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 75.45 109.351 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.71 107.27 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 73.22 109.314 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.607 HD13 HD11 ' A' ' 68' ' ' ILE . 3.4 tt -109.99 149.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 55.22 109.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -142.66 141.98 31.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 75.14 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.512 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.0 mm -97.64 156.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 62.15 109.277 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 1.064 ' CE2' HD12 ' A' ' 84' ' ' LEU . 43.5 m-85 -145.27 146.86 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.02 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.746 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -137.25 129.62 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 71.05 109.284 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 54.82 40.65 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 52.11 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 63.17 39.09 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.41 109.248 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -133.85 -173.73 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 74.13 110.372 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.064 HD12 ' CE2' ' A' ' 79' ' ' PHE . 2.5 tt -140.53 95.47 8.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 73.2 109.34 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.449 ' HG3' HG13 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.99 158.64 42.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 64.22 110.98 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.41 14.56 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 71.01 111.014 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.473 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -84.68 -19.46 32.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 71.45 110.423 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.95 -34.12 44.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 51.52 109.274 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.75 139.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 73.31 109.274 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.714 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.4 tp -91.84 138.62 31.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 71.41 109.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.8 mmm -64.27 -12.6 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 74.04 110.978 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -89.0 -42.54 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.22 110.011 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.47 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 61.22 109.241 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.836 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.7 mm -66.82 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 71.21 109.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.645 ' HB2' HD22 ' A' ' 105' ' ' LEU . 2.4 t80 -56.5 -25.6 51.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 70.31 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.84 -41.29 99.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 62.32 110.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -106.21 -0.72 24.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 70.55 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.836 ' CD2' HG23 ' A' ' 94' ' ' ILE . 86.0 m-70 -113.69 -1.42 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 61.14 109.599 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.85 137.89 58.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 74.14 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.32 -179.98 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 74.51 109.301 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.6 -31.39 71.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 74.41 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -27.09 58.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.22 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.6 -48.77 0.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 71.44 110.989 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.625 ' CD1' HD13 ' A' ' 32' ' ' ILE . 3.6 m-85 -50.7 177.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 71.51 111.021 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.805 ' CB ' HG22 ' A' ' 31' ' ' VAL . 8.2 tp -120.98 125.84 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 73.24 109.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.407 ' OH ' ' CD ' ' A' ' 14' ' ' ARG . 25.0 m-85 -98.8 99.63 10.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 73.42 111.015 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -122.88 163.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 60.13 109.29 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 34' ' ' GLU . 45.1 m -150.08 142.13 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 74.42 110.372 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 35' ' ' LYS . 13.9 p90 -129.97 170.87 13.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 73.23 111.002 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.4 t -164.37 170.27 16.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 71.25 110.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.402 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -78.63 3.0 65.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 72.4 110.998 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -122.36 156.57 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 75.1 110.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -91.54 46.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 74.12 109.304 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.577 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 3.0 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 71.03 110.424 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.288 -0.264 . . . . 74.32 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -77.46 -29.61 52.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 74.54 109.322 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -76.72 -62.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 71.32 109.316 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -39.83 -41.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 73.03 110.348 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ILE . 2.8 p -59.87 -49.49 77.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.43 109.985 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.5 mm-40 -45.74 -34.02 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 72.5 110.253 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -78.61 -35.82 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 70.53 110.251 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' SER . 19.3 mt -71.14 -19.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 75.34 109.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 -35.31 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.42 109.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -71.0 -43.4 68.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 63.41 109.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 25' ' ' PHE . 13.6 tpt180 -78.05 -55.14 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 71.53 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.617 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -118.49 78.95 15.22 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 71.31 111.002 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.435 1.755 . . . . 62.32 110.98 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -126.51 46.86 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.11 109.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 28.6 mmt-85 -132.38 175.9 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 73.01 110.251 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.568 HD11 ' HA ' ' A' ' 53' ' ' ALA . 2.3 mt -142.13 90.61 8.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 74.53 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HB3' HD21 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 51.31 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 2.6 t -85.78 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 72.01 109.3 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.619 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -114.38 91.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 51.52 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.735 ' HB2' HG13 ' A' ' 107' ' ' VAL . 49.7 t -95.1 157.17 16.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 72.13 108.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.925 ' O ' HG23 ' A' ' 108' ' ' THR . 82.2 mt-10 -141.82 119.11 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 54.52 110.288 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.62 ' HG2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -48.32 143.31 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 73.33 109.3 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -76.34 127.49 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.23 109.279 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.23 -27.37 67.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 71.04 110.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -73.66 -30.11 62.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 75.32 109.244 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 1.3 t -55.04 174.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 75.44 110.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.95 15.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 73.31 109.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' HG2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -89.59 155.47 48.3 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 74.44 109.329 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.27 25.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 65.25 111.054 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -60.62 160.42 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 71.11 110.298 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.697 ' CG2' HG23 ' A' ' 68' ' ' ILE . 9.3 pt -98.4 -174.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 64.41 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -54.24 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 75.21 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.623 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -149.76 -177.56 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 71.55 109.316 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.44 101.68 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 75.5 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 13.0 ttpt -158.99 115.25 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 74.45 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 98.4 m-85 -128.84 93.75 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 72.34 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 30' ' ' PRO . 11.6 mt -98.41 92.79 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 54.41 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.574 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.38 154.34 43.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 65.13 109.29 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.16 14.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.748 . . . . 62.11 111.002 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -89.91 19.12 5.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 62.24 109.257 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -120.83 -2.25 9.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 62.44 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD13 HG12 ' A' ' 51' ' ' VAL . 6.9 tt -89.18 156.7 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.4 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.472 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 14.0 p -111.71 162.76 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 74.54 110.419 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.62 -46.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 74.23 109.253 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -63.19 1.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 61.42 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -43.85 -52.31 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 64.01 110.287 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 13.6 t80 -44.69 -60.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 65.34 110.997 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.838 HG22 HG12 ' A' ' 78' ' ' ILE . 62.1 t -40.56 -33.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 53.13 109.285 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -82.47 -42.98 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.13 111.021 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.8 t -48.69 -44.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 71.21 109.277 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 64' ' ' ILE . 1.8 mp -65.21 -52.38 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 71.52 109.29 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 3.2 tmm_? -46.47 -24.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 73.33 110.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -79.02 -44.17 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 71.21 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HB3' HG21 ' A' ' 44' ' ' ILE . 4.6 mmp_? -58.41 -29.77 66.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 62.32 110.313 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.937 HD12 HD22 ' A' ' 70' ' ' LEU . 3.1 pt -107.57 -9.6 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 73.25 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 18.3 ptp 40.99 49.33 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 74.21 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.937 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -65.64 164.25 27.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 72.53 109.342 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.72 26.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 75.14 111.007 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 70.35 110.996 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.52 -39.37 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.41 110.314 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 16.5 mttp -62.64 176.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.4 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.62 106.43 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 42.53 109.268 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.582 HD12 ' CD1' ' A' ' 68' ' ' ILE . 5.9 tt -102.58 148.99 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 73.12 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.54 151.16 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 62.44 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.838 HG12 HG22 ' A' ' 61' ' ' VAL . 2.8 mm -107.81 139.76 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 74.13 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.654 ' CE2' HD13 ' A' ' 84' ' ' LEU . 2.9 m-85 -132.03 124.81 30.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.53 111.065 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.651 ' O ' HG22 ' A' ' 83' ' ' THR . 1.4 p -106.26 131.94 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 65.41 109.266 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.508 HD22 ' N ' ' A' ' 81' ' ' ASN . 1.8 m-80 45.6 62.61 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 62.2 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 42.34 44.86 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 71.1 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.7 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -144.63 -173.68 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.01 110.396 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.7 ' N ' HG23 ' A' ' 83' ' ' THR . 1.1 tp -148.32 97.66 3.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 43.32 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.25 111.012 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.97 163.46 35.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 61.23 110.981 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 t -79.72 -5.92 56.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 63.42 110.362 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.74 -31.33 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 55.04 109.289 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -41.52 139.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.33 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.4 tp -89.41 132.46 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 70.33 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -61.58 -15.72 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 72.13 110.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.514 ' HA ' HD13 ' A' ' 29' ' ' ILE . 78.4 p -85.37 -39.72 17.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 54.24 110.035 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.76 62.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 74.41 109.286 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.562 HG23 ' CD2' ' A' ' 98' ' ' HIS . 16.9 mm -68.77 -61.37 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 73.34 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.2 t80 -55.95 -23.72 33.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 71.14 111.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.09 -41.46 90.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 64.41 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -103.53 -4.08 24.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.4 110.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.562 ' CD2' HG23 ' A' ' 94' ' ' ILE . 50.2 m-70 -108.21 -11.81 15.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 62.3 109.622 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -47.94 143.44 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.31 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.71 179.97 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.32 109.266 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -74.64 -28.12 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 65.3 109.328 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -28.37 46.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 60.22 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.67 -63.65 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 74.14 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.619 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.8 m-85 -48.25 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 73.41 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.454 HD22 ' HB2' ' A' ' 95' ' ' TYR . 9.5 tp -115.22 163.03 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 64.32 109.265 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -127.7 114.65 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 71.24 111.001 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.735 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -139.25 158.98 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 64.31 109.315 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.925 HG23 ' O ' ' A' ' 34' ' ' GLU . 24.2 m -148.65 135.79 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.32 110.37 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.575 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 3.8 p90 -124.74 168.92 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 74.01 111.053 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.0 p -156.91 160.24 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 70.13 110.003 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.13 -8.1 47.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 72.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -116.1 156.47 26.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.786 . . . . 71.4 110.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -89.25 45.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 70.24 109.304 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.32 110.423 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.324 -0.25 . . . . 74.0 110.324 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -40.26 -31.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 63.34 109.322 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -62.83 -57.99 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 45.23 109.276 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -40.88 -34.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.03 110.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.86 -48.29 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 53.35 110.015 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 35.2 mm-40 -50.31 -37.4 36.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 73.13 110.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -78.66 -38.01 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 55.54 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.2 mt -68.7 -21.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 73.12 109.33 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.36 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 71.41 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.08 -18.75 49.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 71.13 109.322 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HG2' ' CZ ' ' A' ' 25' ' ' PHE . 15.8 tpt180 -108.23 -61.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 73.02 110.306 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.55 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 2.3 m-85 -124.7 75.77 64.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.41 111.005 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 63.55 111.041 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -102.77 12.12 36.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 63.45 109.295 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.4 mpt_? -104.0 178.09 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 74.3 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.0 mt -147.78 91.07 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 61.23 109.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.99 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 73.44 111.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.622 HG22 ' HB3' ' A' ' 105' ' ' LEU . 3.8 t -85.72 138.59 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 74.14 109.307 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -111.48 96.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 74.13 109.31 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.73 152.17 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 62.14 108.322 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.016 ' O ' HG23 ' A' ' 108' ' ' THR . 9.7 mp0 -131.26 120.1 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.5 110.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.582 ' H ' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -40.29 139.32 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 73.54 109.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.061 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -102.51 110.89 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 51.52 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.83 -42.11 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.41 110.258 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -48.28 -36.78 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.02 109.322 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.34 148.11 51.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 62.52 109.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.77 13.67 33.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 44.44 109.238 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.88 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.8 OUTLIER -82.66 162.75 54.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 60.23 109.273 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 144.15 29.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.439 1.758 . . . . 74.22 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.92 170.92 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 62.1 110.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.732 HG23 HG23 ' A' ' 68' ' ' ILE . 3.4 pt -114.24 172.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 75.44 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -49.75 15.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 65.45 109.299 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -150.75 158.16 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.31 109.313 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.584 HH21 ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -115.83 104.38 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.45 110.267 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -158.67 114.37 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.22 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.8 m-85 -134.12 116.07 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 64.22 110.998 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 4.6 mt -104.49 97.63 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 74.32 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.825 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 153.46 43.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.41 109.251 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.38 14.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 63.35 110.972 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -88.9 18.13 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 63.24 109.262 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -124.53 1.96 8.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.54 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 51' ' ' VAL . 2.4 tt -95.23 155.2 16.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 63.21 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -101.44 160.41 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 65.14 110.383 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.455 HG22 ' SD ' ' A' ' 91' ' ' MET . 84.3 t -52.57 -45.59 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 65.41 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.38 -56.47 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 74.24 111.021 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.641 ' HB2' HD11 ' A' ' 55' ' ' LEU . 4.7 mt-30 -48.56 -40.17 26.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 64.51 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CZ ' ' CG1' ' A' ' 31' ' ' VAL . 3.5 t80 -64.18 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.02 110.982 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.716 HG22 ' CG1' ' A' ' 78' ' ' ILE . 16.6 t -74.31 -16.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 62.22 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.06 -63.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 72.43 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 64' ' ' ILE . 27.0 m -43.43 -55.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 71.24 109.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.536 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -48.99 -55.16 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 62.3 109.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.2 tpp85 -45.27 -27.94 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 73.24 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.72 -42.67 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 60.04 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.517 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.4 mmt-85 -60.74 -25.34 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 53.42 110.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.76 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.5 pt -112.64 -6.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 62.45 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.8 ptp 41.46 48.95 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 72.12 110.976 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.76 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.1 mt -65.4 164.19 26.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 50.1 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.28 42.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 61.11 110.979 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.21 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 72.02 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -101.61 -15.06 17.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 62.12 110.302 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -93.88 177.13 6.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 72.4 109.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.51 120.85 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 72.03 109.275 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.2 tt -95.54 143.89 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 71.12 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -116.63 147.92 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 63.51 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.716 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.8 mm -108.57 135.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 72.35 109.29 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.722 ' CD2' HD12 ' A' ' 84' ' ' LEU . 3.1 m-85 -126.92 124.75 40.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 72.42 111.019 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -119.39 136.85 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.42 109.289 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 44.71 53.97 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.33 109.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 48.81 45.64 22.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.12 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -138.64 -173.62 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.43 110.392 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.722 HD12 ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -143.31 91.4 6.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 64.31 109.27 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.13 43.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.79 . . . . 75.22 111.024 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.98 159.99 40.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 62.21 111.056 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -75.04 -8.2 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 71.21 110.434 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.53 -24.45 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 72.2 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.55 137.3 15.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 73.53 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -86.16 136.47 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 72.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.455 ' SD ' HG22 ' A' ' 57' ' ' VAL . 85.4 mmm -65.95 -9.2 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 75.25 111.024 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.591 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 60.7 p -88.14 -41.63 12.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 65.3 110.017 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.76 -33.22 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 71.53 109.257 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.744 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.8 mm -66.67 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.44 109.283 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.649 ' HB2' HD22 ' A' ' 105' ' ' LEU . 1.9 t80 -59.58 -25.51 64.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 72.43 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -63.03 -37.06 85.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 65.31 110.267 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -108.16 -7.69 15.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 64.1 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.744 ' CD2' HG23 ' A' ' 94' ' ' ILE . 84.5 m-70 -106.7 3.25 26.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 74.42 109.582 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -71.08 130.99 42.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 65.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -100.52 -179.98 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 73.31 109.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -56.45 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 72.12 109.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -40.48 -48.04 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 73.54 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -37.39 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 72.02 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -67.32 170.59 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 64.4 111.031 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 95' ' ' TYR . 7.2 tp -107.96 126.12 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 75.12 109.273 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -96.92 108.61 21.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 73.51 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -136.84 163.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 53.1 109.327 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 1.061 HG22 ' HB2' ' A' ' 36' ' ' ALA . 29.5 m -144.59 134.74 24.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 74.24 110.415 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.88 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.6 p90 -105.07 146.92 28.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.44 111.033 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.7 p -151.74 122.6 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 72.31 109.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -44.52 -32.97 3.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 64.11 111.001 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -92.88 163.36 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 63.4 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -90.71 45.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 65.45 109.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.4 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.35 110.386 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.449 ' NH1' ' OH ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.345 -0.243 . . . . 75.11 110.345 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 14' ' ' ARG . 16.8 tttp -81.55 -32.14 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 70.25 109.304 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.47 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 63.01 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -53.94 49.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 75.53 110.34 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -54.09 -32.4 54.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 70.31 110.035 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 72.32 110.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' ASP . 65.9 mtp180 -78.62 -59.94 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 72.33 110.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.64 HD13 HD21 ' A' ' 50' ' ' LEU . 11.5 mt -51.42 -22.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 71.33 109.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.74 -34.2 21.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 72.23 109.247 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 6.1 t70 -72.87 -29.75 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.23 109.257 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.6 -52.3 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 64.54 110.259 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.5 m-85 -129.55 79.52 73.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 72.21 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -0.31 9.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 75.23 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -102.63 18.72 20.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 61.32 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -119.13 179.15 4.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.31 110.325 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' VAL . 4.0 mt -144.29 93.37 5.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 71.22 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.544 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 92.77 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 61.22 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 105' ' ' LEU . 43.4 t -89.98 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 62.33 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 47' ' ' ARG . 5.9 mm -116.46 91.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 61.51 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.1 t -70.24 157.33 37.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 52.21 108.269 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.825 ' O ' HG23 ' A' ' 108' ' ' THR . 29.3 mm-40 -151.81 124.55 8.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 73.35 110.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.92 138.25 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 74.14 109.253 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.34 118.07 17.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 70.21 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.15 -40.92 67.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 61.23 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -55.62 -49.36 73.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 70.12 109.247 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -48.72 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 64.11 109.992 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -131.85 24.13 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 63.33 109.311 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.928 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -80.92 162.93 58.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 50.14 109.285 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.672 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 70.12 110.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 171.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 71.13 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.622 HG23 HG23 ' A' ' 68' ' ' ILE . 3.9 pt -117.39 175.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 50.12 109.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.14 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.24 109.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -153.5 -168.58 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 71.43 109.342 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 5.3 ptt180 -114.93 101.4 8.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 61.41 110.269 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -159.36 106.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.1 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -142.29 100.95 3.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.44 111.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.64 HD21 HD13 ' A' ' 21' ' ' ILE . 11.9 mt -78.78 92.22 4.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 72.31 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.1 HG13 HD22 ' A' ' 55' ' ' LEU . 3.8 t -90.21 126.65 56.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 74.41 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.0 173.02 15.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.439 1.758 . . . . 74.3 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.57 7.86 18.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.44 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -110.95 -20.04 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 75.02 109.266 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.1 HD22 HG13 ' A' ' 51' ' ' VAL . 2.0 tt -77.97 155.24 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 75.25 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 55' ' ' LEU . 11.2 p -115.53 173.19 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 75.5 110.425 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 61' ' ' VAL . 77.4 t -57.54 -53.56 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 52.24 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.34 -62.19 1.9 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 64.23 110.968 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -45.66 -44.76 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 71.04 110.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.613 ' CE1' HG21 ' A' ' 51' ' ' VAL . 4.7 t80 -56.71 -35.24 68.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 71.34 110.987 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.84 HG22 HG13 ' A' ' 78' ' ' ILE . 3.2 t -71.78 -16.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 74.51 109.354 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.14 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 72.33 111.058 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 64' ' ' ILE . 27.7 m -44.29 -54.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 75.22 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.531 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -48.24 -57.95 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.12 109.285 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.471 HH21 HG22 ' A' ' 76' ' ' ILE . 13.5 ttm180 -42.5 -27.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 75.44 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -78.44 -47.45 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 74.51 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.506 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -57.14 -26.87 61.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.45 110.299 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.961 HD12 HD12 ' A' ' 70' ' ' LEU . 1.5 pt -107.16 -13.26 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 73.23 109.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.474 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.4 ptp 41.4 49.28 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.13 110.966 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.961 HD12 HD12 ' A' ' 68' ' ' ILE . 9.0 mt -64.66 164.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 71.03 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.84 41.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 72.3 110.969 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.91 11.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 73.51 111.002 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -99.16 -13.21 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 53.14 110.325 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -96.85 165.98 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.1 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.46 106.19 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 31.24 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.695 HD12 ' CD1' ' A' ' 68' ' ' ILE . 7.0 tt -91.14 143.86 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 61.55 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 109' ' ' TYR . 91.4 m-85 -118.47 162.74 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.23 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.84 HG13 HG22 ' A' ' 61' ' ' VAL . 11.2 mm -119.16 128.07 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 73.13 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.835 ' CE2' HD13 ' A' ' 84' ' ' LEU . 79.8 m-85 -120.24 135.73 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 61.34 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 83' ' ' THR . 1.6 p -133.84 138.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 74.12 109.351 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 51.78 29.3 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 71.13 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 67.99 34.75 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 73.54 109.332 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -135.11 -173.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.32 110.439 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.835 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -144.68 93.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 63.12 109.322 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.44 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.0 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 73.14 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.94 170.49 20.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 73.31 111.045 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.02 -19.79 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 62.52 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.89 -27.61 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.21 109.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -42.25 127.9 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 72.22 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -78.24 127.49 32.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 72.02 109.29 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.568 ' HG3' HG11 ' A' ' 51' ' ' VAL . 87.5 mmm -55.89 -17.06 5.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.41 111.043 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.1 p -77.05 -46.8 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 73.01 109.962 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -26.92 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 61.34 109.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.792 HD11 ' HB1' ' A' ' 89' ' ' ALA . 22.6 mm -70.9 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 74.42 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.502 ' HB2' HD22 ' A' ' 105' ' ' LEU . 41.2 t80 -60.31 -17.34 42.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 63.41 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.75 -38.82 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 73.32 110.271 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -103.03 -3.0 26.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 71.43 110.357 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.779 ' CD2' HG23 ' A' ' 94' ' ' ILE . 60.9 m-70 -105.81 -31.15 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 74.5 109.601 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -40.4 135.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.21 109.271 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -103.08 179.94 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 74.11 109.308 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -66.73 -16.72 64.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 60.14 109.29 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.21 -17.79 36.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.22 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.94 -58.16 1.23 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 53.35 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.481 ' CD1' HG12 ' A' ' 32' ' ' ILE . 2.3 m-85 -49.37 175.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 64.53 110.962 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.598 ' HB3' HG22 ' A' ' 31' ' ' VAL . 8.3 tp -119.46 127.1 52.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 62.22 109.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 23.3 m-85 -98.87 118.59 35.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 70.55 111.025 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -142.66 154.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.34 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 34' ' ' GLU . 5.1 m -150.48 135.94 18.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 72.33 110.412 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.928 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.6 p90 -109.64 173.09 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 71.42 111.002 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 112' ' ' GLU . 65.7 p -160.42 124.12 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 54.43 109.978 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.509 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -41.12 -27.82 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 64.11 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 110' ' ' SER . 10.4 tt0 -113.91 157.02 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 71.12 110.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.418 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 5.3 t-20 -85.38 63.29 8.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 65.25 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 71.33 110.427 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.284 -0.265 . . . . 75.24 110.284 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -27.96 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 74.32 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -77.58 -63.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 75.44 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -43.15 -38.23 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.14 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 p -64.62 -42.82 95.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 71.34 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' ALA . 29.0 mm-40 -53.36 -28.1 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 71.43 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -78.9 -39.57 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 54.22 110.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 30' ' ' PRO . 11.9 mt -76.59 -19.64 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 72.33 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.45 -28.37 31.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 64.25 109.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.02 -15.46 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 71.42 109.308 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 19.9 tpt180 -97.31 -62.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.24 110.263 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 3.9 m-85 -124.15 76.87 60.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 72.51 110.975 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.03 9.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 71.31 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -101.48 -6.4 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 73.4 109.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 16.2 mmt180 -92.86 -177.83 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 55.05 110.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.593 HD11 ' HA ' ' A' ' 53' ' ' ALA . 5.0 mt -145.55 93.14 5.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.11 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.629 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.97 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 75.21 111.028 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.496 ' CG1' ' CZ ' ' A' ' 60' ' ' PHE . 25.6 t -85.7 135.57 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 65.22 109.353 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.605 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.2 mm -111.18 91.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 73.53 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -72.22 157.34 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 32.1 108.306 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.854 ' O ' HG23 ' A' ' 108' ' ' THR . 20.0 mt-10 -136.44 118.64 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.22 110.315 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 39' ' ' SER . 1.4 tmtt? -47.89 141.06 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 61.4 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.846 ' HB2' ' CG2' ' A' ' 108' ' ' THR . . . -101.25 117.02 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 53.4 109.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.42 -53.79 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 71.42 110.34 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -44.21 -40.22 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 71.23 109.331 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 2.3 t -49.01 158.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 43.11 110.038 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.54 14.16 21.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 71.24 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.818 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -93.46 161.47 30.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 71.2 109.32 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.94 35.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.44 1.758 . . . . 71.23 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.42 169.96 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 73.12 110.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 68' ' ' ILE . 4.6 pt -113.17 173.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 71.13 109.316 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -73.98 -51.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 64.44 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 179.78 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 55.52 109.322 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' O ' HD13 ' A' ' 32' ' ' ILE . 3.2 ptp85 -129.76 101.48 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.31 110.259 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' C ' ' CD ' ' A' ' 48' ' ' LYS . 1.9 tmtt? -153.01 132.98 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 74.1 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 33' ' ' CYS . 50.9 m-85 -150.89 94.44 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 63.34 111.031 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -91.46 92.37 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 61.2 109.349 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.918 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.15 153.78 43.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 75.3 109.341 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.65 14.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 61.03 110.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -88.42 17.31 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 74.13 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -124.53 1.93 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 74.14 109.364 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.918 HD13 HG12 ' A' ' 51' ' ' VAL . 3.9 tt -93.95 155.41 17.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 75.33 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -103.94 161.43 13.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 63.15 110.432 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.625 HG22 ' SD ' ' A' ' 91' ' ' MET . 91.8 t -53.11 -41.95 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 54.15 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.27 -59.21 2.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 61.25 111.008 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.591 ' CB ' HD11 ' A' ' 55' ' ' LEU . 6.5 mt-30 -49.52 -32.63 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 73.33 110.288 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.529 ' CE1' ' CB ' ' A' ' 49' ' ' TYR . 4.0 t80 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 64.12 111.003 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.7 HG22 ' CG1' ' A' ' 78' ' ' ILE . 18.5 t -71.93 -16.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 71.14 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -63.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 72.45 110.999 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.573 HG23 HD12 ' A' ' 64' ' ' ILE . 6.9 m -45.19 -49.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 71.1 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.573 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -55.03 -64.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.25 109.313 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.464 ' N ' HG22 ' A' ' 64' ' ' ILE . 36.8 ttp180 -41.2 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 73.3 110.285 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -78.83 -49.08 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 75.32 109.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.0 mmt-85 -49.22 -22.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 63.35 110.253 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.03 HD12 HD22 ' A' ' 70' ' ' LEU . 1.2 pt -106.88 -23.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 72.3 109.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER 73.68 29.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.21 110.996 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.03 HD22 HD12 ' A' ' 68' ' ' ILE . 1.8 mp -64.29 149.79 93.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 60.12 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 172.54 16.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 73.11 111.051 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.77 . . . . 62.2 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 74' ' ' LYS . 9.9 pt-20 -95.07 -35.28 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.45 110.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -58.07 168.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 72.34 109.317 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.19 105.97 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 72.33 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.59 ' CD1' HD11 ' A' ' 68' ' ' ILE . 2.8 tt -104.9 132.44 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 72.55 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 81.1 m-85 -117.32 139.54 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.01 111.012 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.7 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.9 mm -89.19 142.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.24 109.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 1.08 ' CE2' HD12 ' A' ' 84' ' ' LEU . 76.5 m-85 -135.0 133.4 39.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 72.25 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.74 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -134.43 140.94 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 53.45 109.262 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 81' ' ' ASN . 1.7 m-80 41.93 53.59 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 72.3 109.293 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 50.34 45.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 74.45 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -139.69 -173.63 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 54.55 110.427 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.08 HD12 ' CE2' ' A' ' 79' ' ' PHE . 4.3 tt -143.77 93.64 6.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.21 109.323 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.66 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 75.51 110.99 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.98 168.13 25.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 52.25 110.998 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -80.83 -13.99 58.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 75.55 110.345 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.01 -26.9 23.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 43.2 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.457 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -47.07 139.37 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 41.42 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.4 tp -89.06 131.85 35.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 63.2 109.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.625 ' SD ' HG22 ' A' ' 57' ' ' VAL . 73.1 mmm -62.65 -12.3 22.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 51.21 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.413 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 22.8 t -84.07 -41.57 17.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 70.32 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.72 -36.36 57.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 61.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.838 HG23 ' CD2' ' A' ' 98' ' ' HIS . 15.2 mm -65.76 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 74.53 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.51 ' CD2' HG23 ' A' ' 29' ' ' ILE . 3.0 t80 -57.95 -23.92 55.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 73.43 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.1 -37.3 87.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.13 110.343 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -110.18 -0.71 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 75.24 110.321 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.838 ' CD2' HG23 ' A' ' 94' ' ' ILE . 83.5 m-70 -112.97 -9.55 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 72.01 109.562 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -50.23 143.6 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 64.33 109.262 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 2.9 t70 -98.86 179.98 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 71.11 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -77.14 -16.37 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 54.13 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.86 -14.89 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.33 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.48 -59.56 0.36 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 75.02 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.605 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -49.27 177.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 73.33 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.547 HD11 ' CB ' ' A' ' 98' ' ' HIS . 7.8 tp -116.44 156.5 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 74.32 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.595 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.05 105.36 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 75.55 110.995 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.49 HG21 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -135.63 162.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 61.12 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 34' ' ' GLU . 4.0 m -145.38 137.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 53.23 110.404 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.818 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.9 p90 -106.14 148.12 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.35 110.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 1.7 t -145.37 134.35 22.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 74.01 109.95 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.37 -14.28 33.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 52.31 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -110.83 163.46 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 62.13 110.29 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.566 ' ND2' HD13 ' A' ' 84' ' ' LEU . 2.0 t-20 -97.43 73.83 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 52.53 109.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.42 110.367 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.277 -0.268 . . . . 73.24 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -44.53 -53.44 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 74.13 109.3 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.27 -57.76 7.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 54.34 109.359 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -42.49 -29.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 65.5 110.342 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -89.14 -40.93 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 54.35 110.003 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ALA . 17.3 mm-40 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 75.53 110.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -80.66 -51.62 8.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 73.41 110.321 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.456 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 19.0 mt -64.01 -18.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.11 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.1 -38.66 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 55.32 109.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.58 -33.14 62.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.2 109.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -81.15 -40.37 24.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 72.51 110.292 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 5.2 m-85 -146.0 81.31 9.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 71.42 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.07 9.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 52.51 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -106.96 17.39 23.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 74.24 109.32 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.3 mmt85 -114.02 -177.8 3.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 74.34 110.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.826 HG23 ' CD2' ' A' ' 95' ' ' TYR . 34.9 mt -147.26 90.9 5.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 74.13 109.329 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.0 97.09 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 74.13 110.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.634 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 3.3 t -85.68 136.18 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 74.43 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.631 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 4.7 mm -113.92 92.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.02 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HG ' ' HA ' ' A' ' 108' ' ' THR . 7.0 t -87.74 157.35 19.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 71.2 108.309 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.974 ' O ' HG23 ' A' ' 108' ' ' THR . 21.5 mp0 -138.88 118.53 13.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 61.42 110.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HZ2' ' HE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -41.04 144.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 72.31 109.313 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.851 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -102.65 109.18 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 64.32 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.8 pt-20 -43.46 -49.44 7.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 71.13 110.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.26 -40.56 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 54.44 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.429 ' OG ' HG23 ' A' ' 41' ' ' ILE . 7.8 t -49.3 161.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 74.22 109.982 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -121.42 13.39 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 73.1 109.265 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.801 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -90.98 163.64 28.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 64.33 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 133.21 16.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 70.14 110.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.05 170.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.54 110.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 68' ' ' ILE . 3.5 pt -109.08 -172.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 70.23 109.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -79.25 -56.26 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 75.34 109.355 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.54 177.65 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 53.33 109.314 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -111.44 102.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 73.45 110.305 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -158.79 111.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 73.23 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' HG13 ' A' ' 64' ' ' ILE . 53.4 m-85 -135.52 96.21 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.24 110.973 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.7 tp -98.56 94.06 6.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 55.41 109.316 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.681 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.65 158.06 37.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 64.54 109.313 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.23 14.86 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 72.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 17.59 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 73.53 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -8.55 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 65.42 109.296 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.681 HD13 ' CG1' ' A' ' 51' ' ' VAL . 7.6 tt -81.22 157.9 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 52.44 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.577 HG22 HD12 ' A' ' 90' ' ' LEU . 16.6 p -118.3 152.0 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 61.24 110.399 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 61' ' ' VAL . 93.6 t -40.46 -47.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 75.32 109.311 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.22 -54.32 2.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 61.01 110.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 13.7 mt-30 -58.08 -53.4 58.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 72.42 110.289 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.634 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 59.6 t80 -46.66 -54.94 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.14 110.99 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.861 HG22 HG13 ' A' ' 78' ' ' ILE . 19.1 t -50.55 -28.47 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 52.1 109.288 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 1.4 t80 -80.69 -60.43 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 63.14 111.022 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 t -40.9 -50.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 72.31 109.316 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -54.05 -52.62 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 71.11 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' MET . 18.6 ttm180 -48.64 -23.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 73.43 110.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -74.12 -43.64 56.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 61.42 109.326 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 17.0 mmt180 -60.82 -18.71 57.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 70.3 110.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.946 HD12 HD22 ' A' ' 70' ' ' LEU . 3.0 pt -113.74 -11.77 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 72.5 109.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.0 ptp 40.96 48.47 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 71.25 111.003 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.946 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -70.41 155.61 93.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 52.13 109.297 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.23 23.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 64.33 111.012 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.58 10.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 72.25 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.21 -29.27 14.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 74.43 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 173.72 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 72.01 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.0 106.24 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 44.11 109.315 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.0 tt -107.67 161.16 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 35.25 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 76' ' ' ILE . 55.2 m-85 -151.26 148.0 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 74.11 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.861 HG13 HG22 ' A' ' 61' ' ' VAL . 3.1 mm -108.17 137.6 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 34.3 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.769 ' CE2' HD13 ' A' ' 84' ' ' LEU . 67.6 m-85 -127.24 122.54 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 60.12 111.009 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.622 ' O ' HG22 ' A' ' 83' ' ' THR . 1.5 p -111.23 133.44 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.04 109.275 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 44.5 61.22 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 64.54 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 43.12 41.09 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 61.32 109.332 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.695 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -141.68 -173.76 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 73.51 110.373 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.769 HD13 ' CE2' ' A' ' 79' ' ' PHE . 5.1 tp -138.21 100.34 8.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 74.14 109.309 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 156.53 43.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 75.12 111.017 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.01 160.33 40.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 71.32 110.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -2.48 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.03 110.396 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.73 -26.83 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 71.14 109.295 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -50.69 137.36 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 45.53 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.577 HD12 HG22 ' A' ' 56' ' ' THR . 6.5 tp -88.48 130.14 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 70.33 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.2 mmm -57.08 -16.44 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 53.41 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 p -74.84 -50.01 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 53.34 109.935 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 71.55 109.28 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.485 HD11 ' HB1' ' A' ' 89' ' ' ALA . 20.5 mm -71.68 -57.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 65.2 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.826 ' CD2' HG23 ' A' ' 29' ' ' ILE . 2.2 t80 -60.35 -18.06 47.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 73.55 111.055 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -77.03 -33.51 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 65.54 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -109.08 -0.85 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.3 110.347 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.553 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 50.2 m-70 -122.98 26.92 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 74.42 109.537 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 135.59 34.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.23 109.305 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 179.28 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 64.41 109.342 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -78.21 -0.52 28.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.15 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 -3.71 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.23 109.285 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.12 -1.38 85.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.155 . . . . 43.3 111.03 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.631 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -103.78 -179.22 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.761 . . . . 64.54 110.997 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.822 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.5 OUTLIER -110.72 156.16 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 54.23 109.281 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.628 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -128.26 105.74 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 72.1 111.003 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.588 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -132.95 160.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 75.24 109.277 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.974 HG23 ' O ' ' A' ' 34' ' ' GLU . 19.2 m -145.09 125.45 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 73.53 110.41 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.801 ' HE1' HD11 ' A' ' 41' ' ' ILE . 6.3 p90 -109.09 141.37 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 75.35 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 4.5 m -140.57 157.43 45.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 55.51 110.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -77.37 2.06 63.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 50.21 110.981 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -125.57 157.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 71.12 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.62 68.2 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 75.5 109.285 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 71.04 110.402 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.322 -0.251 . . . . 74.02 110.322 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' SER . 21.6 ttpt -61.51 -60.52 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 73.44 109.31 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -47.81 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 72.41 109.268 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -48.86 -40.65 30.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 72.11 110.307 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 1.4 t -74.37 -42.12 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 53.01 109.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.43 -26.71 8.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 71.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -82.03 -54.53 5.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 62.33 110.344 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.444 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 28.8 mt -60.28 -19.58 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 75.53 109.248 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.34 -42.88 15.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 55.11 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.16 -40.42 81.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 75.14 109.247 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -85.39 -50.56 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 63.11 110.344 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.7 m-85 -126.15 74.05 72.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 70.22 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.5 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 74.14 111.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -104.99 8.79 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 75.21 109.272 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.0 mpt_? -104.23 -178.0 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 63.42 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 95' ' ' TYR . 1.7 mt -142.95 90.35 7.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 73.12 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.02 91.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 54.33 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.868 HG22 ' CB ' ' A' ' 105' ' ' LEU . 2.7 t -85.61 153.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 64.33 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -128.24 92.03 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 74.43 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.737 ' HB2' HG13 ' A' ' 107' ' ' VAL . 35.7 t -92.81 154.43 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 71.2 108.252 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.881 ' O ' HG23 ' A' ' 108' ' ' THR . 2.5 mp0 -140.97 118.68 11.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 64.34 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.6 136.65 50.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 71.15 109.337 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.14 123.23 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.31 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -57.0 -43.94 82.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.04 110.252 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -54.7 -47.36 73.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 75.35 109.34 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 p -39.64 157.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.1 109.997 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -107.83 28.9 7.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 33.41 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.618 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -99.63 160.2 28.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 64.13 109.303 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 74.11 111.018 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.64 159.73 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 75.42 110.291 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.572 HG21 ' HB3' ' A' ' 67' ' ' ARG . 14.3 pt -103.03 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.34 109.267 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.15 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.34 109.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 -167.91 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 72.42 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.686 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -118.64 101.6 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 71.34 110.254 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -153.42 123.98 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.52 109.33 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 21.8 m-85 -137.97 104.57 5.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 72.35 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -106.96 92.11 3.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 75.24 109.322 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.726 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -116.12 154.45 48.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 70.21 109.276 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 73.35 110.979 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -88.29 17.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.41 109.289 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.02 -3.03 10.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.3 109.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.726 HD13 HG12 ' A' ' 51' ' ' VAL . 6.3 tt -89.79 152.84 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 73.4 109.267 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -113.57 164.21 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 64.32 110.357 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 61' ' ' VAL . 95.7 t -48.42 -44.0 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.52 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.01 -56.08 2.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 72.43 111.011 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.589 ' HB2' HD11 ' A' ' 55' ' ' LEU . 3.8 mm100 -55.45 -51.17 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 72.11 110.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.1 t80 -48.93 -58.78 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.01 110.994 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.7 HG22 ' CG1' ' A' ' 78' ' ' ILE . 35.6 t -44.03 -30.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 72.52 109.325 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -80.29 -45.9 17.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.42 110.993 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.11 -45.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 52.25 109.307 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 60' ' ' PHE . 4.4 mp -61.03 -55.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.45 109.298 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -43.83 -26.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.02 110.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -82.74 -44.17 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 74.51 109.265 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.572 ' HB3' HG21 ' A' ' 44' ' ' ILE . 7.1 mmt-85 -58.66 -29.89 66.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 74.34 110.254 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.049 HD12 HD22 ' A' ' 70' ' ' LEU . 1.4 pt -108.37 -8.64 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 72.31 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 11.7 ptp 41.75 47.12 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 74.15 111.019 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.049 HD22 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -69.98 155.8 92.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 62.12 109.286 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.06 19.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 51.31 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 70.13 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.29 -40.8 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 74.32 110.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 74.25 109.326 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 111' ' ' GLY . . . -153.8 106.12 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 53.5 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.652 HD12 ' CD1' ' A' ' 68' ' ' ILE . 4.6 tt -110.26 161.41 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 71.02 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -151.02 145.65 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 72.14 111.035 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 84' ' ' LEU . 2.5 mm -101.66 139.21 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 50.41 109.277 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.832 ' CE2' HD13 ' A' ' 84' ' ' LEU . 69.5 m-85 -131.04 120.55 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.21 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.573 HG12 HG22 ' A' ' 83' ' ' THR . 1.3 p -111.24 130.15 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 63.41 109.322 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.581 HD22 ' N ' ' A' ' 81' ' ' ASN . 1.4 m-80 46.68 65.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.33 109.259 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 40.27 37.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 74.34 109.278 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -138.29 179.82 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.33 110.444 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.832 HD13 ' CE2' ' A' ' 79' ' ' PHE . 2.6 tp -136.7 99.63 10.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 73.22 109.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.431 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.96 161.74 38.36 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.439 1.758 . . . . 74.03 111.05 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.06 165.49 31.12 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.799 . . . . 74.11 110.978 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 3.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.24 110.344 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.2 -28.35 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 74.23 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . . . -44.06 126.97 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 72.12 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.05 127.24 32.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 71.25 109.298 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.2 mmm -56.5 -16.72 6.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 64.44 110.997 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 p -75.09 -47.87 26.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 72.45 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.57 61.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 73.51 109.281 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.493 HG23 ' CD2' ' A' ' 98' ' ' HIS . 17.6 mm -67.53 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 71.13 109.287 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -56.74 -19.68 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 60.44 111.023 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.84 -40.27 75.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 75.41 110.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -107.73 -0.67 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 74.43 110.314 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.578 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 89.9 m-70 -116.97 20.66 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 71.43 109.579 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -94.57 135.73 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 64.52 109.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -96.08 179.96 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 75.32 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.28 -15.69 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 73.43 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.83 -16.55 33.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 73.44 109.321 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.66 -51.8 1.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 55.13 111.006 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.7 m-85 -49.56 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 73.21 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.868 ' CB ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -113.27 157.84 21.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 73.14 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.23 102.83 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 72.15 110.992 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.737 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -124.72 159.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 75.43 109.323 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 34' ' ' GLU . 39.0 m -154.98 114.63 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 72.32 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.618 ' HE1' HD11 ' A' ' 41' ' ' ILE . 5.5 p90 -101.57 -173.64 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 73.22 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -174.74 161.93 3.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.23 110.024 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 75' ' ' ALA . . . -75.37 -0.24 61.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 74.22 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -124.08 156.95 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 64.35 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -87.76 63.67 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.3 109.318 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.531 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 5.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 65.35 110.434 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.306 -0.257 . . . . 73.45 110.306 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -46.67 -33.73 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 71.34 109.251 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.23 -60.14 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 43.45 109.289 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.23 -32.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 63.14 110.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 t -79.33 -52.25 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 65.23 109.965 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.63 -31.83 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 75.21 110.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -80.23 -44.76 19.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 73.15 110.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.541 HG23 HD21 ' A' ' 50' ' ' LEU . 29.5 mt -60.63 -24.9 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 63.31 109.278 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.8 -37.8 29.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 61.03 109.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.73 -46.7 88.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 74.23 109.268 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -80.43 -43.88 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 65.21 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.6 m-85 -132.6 78.41 67.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 72.14 110.977 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 0.01 9.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 74.32 110.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -108.22 17.39 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 73.11 109.321 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 24.6 mmt180 -112.93 -177.9 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 64.53 110.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.836 HG23 ' CD2' ' A' ' 95' ' ' TYR . 15.5 mt -149.06 93.55 4.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.34 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.02 97.57 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.515 1.797 . . . . 63.13 110.989 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.902 HG22 ' HB3' ' A' ' 105' ' ' LEU . 2.8 t -94.92 126.73 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 52.11 109.283 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.592 HG23 ' HD3' ' A' ' 47' ' ' ARG . 2.6 mm -98.3 91.8 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 73.25 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.648 ' SG ' HG23 ' A' ' 107' ' ' VAL . 49.9 t -94.53 157.41 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 72.23 108.321 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.594 ' HG3' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -132.81 170.86 14.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.14 110.274 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 2.1 tmtt? -100.15 134.13 43.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.15 109.33 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.809 ' HB3' ' HB3' ' A' ' 39' ' ' SER . . . -64.61 111.39 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.12 109.294 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.17 -36.33 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.32 110.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -68.4 -38.63 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 64.4 109.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.809 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 6.6 p -48.36 175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 61.41 110.029 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -122.85 21.95 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 72.21 109.306 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -87.98 154.58 52.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 74.31 109.278 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.706 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.95 135.07 18.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 55.32 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -55.36 163.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 45.22 110.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.811 ' CG2' HG23 ' A' ' 68' ' ' ILE . 27.6 pt -114.58 166.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 75.31 109.279 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -47.65 -58.37 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 64.43 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.57 -167.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 70.51 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HD3' HG23 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -119.23 101.46 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 65.53 110.279 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -159.27 102.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.31 109.326 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 97.2 m-85 -124.24 93.75 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 75.33 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD21 HG23 ' A' ' 21' ' ' ILE . 4.8 tp -95.63 96.79 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 71.11 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.789 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.65 153.66 44.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 74.04 109.342 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 64.14 110.985 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.596 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -89.28 18.52 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 54.52 109.324 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -124.44 1.76 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 72.4 109.326 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.789 HD13 HG12 ' A' ' 51' ' ' VAL . 4.0 tt -93.72 155.75 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 74.44 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -105.29 154.87 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.4 110.41 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 60' ' ' PHE . 73.1 t -47.54 -44.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 71.03 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' VAL . . . -40.61 -58.8 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 52.11 111.017 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.526 ' CB ' HD11 ' A' ' 55' ' ' LEU . 23.7 mt-30 -45.44 -37.6 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 72.21 110.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 64' ' ' ILE . 10.2 t80 -63.64 -36.38 83.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 64.44 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' GLY . 11.1 t -68.63 -16.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 72.04 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -86.72 -63.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.15 111.006 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG23 HD12 ' A' ' 64' ' ' ILE . 6.3 m -44.8 -47.85 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 73.23 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -56.53 -64.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 64.42 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 64' ' ' ILE . 18.6 ttm180 -40.62 -28.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 75.24 110.268 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -79.76 -49.19 12.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 73.32 109.271 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.497 ' O ' HG22 ' A' ' 44' ' ' ILE . 4.6 mmp_? -50.15 -21.82 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 72.14 110.259 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.032 HD12 HD22 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -106.58 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 50.42 109.299 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 72.2 31.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 72.51 110.965 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.032 HD22 HD12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -64.32 152.72 88.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 62.42 109.29 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 73.2 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 64.32 110.981 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.32 -29.63 13.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 65.42 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 4.2 mttp -69.73 170.42 10.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 72.53 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.67 106.13 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 73.12 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 41' ' ' ILE . 6.5 tt -102.66 130.82 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 63.44 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 67.5 m-85 -110.61 138.63 46.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 73.11 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.509 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.7 mm -94.24 141.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 73.42 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.631 ' CE2' HD13 ' A' ' 84' ' ' LEU . 38.4 m-85 -129.18 129.71 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.14 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.77 ' O ' HG22 ' A' ' 83' ' ' THR . 1.3 p -129.34 128.82 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.15 109.307 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.472 ' ND2' ' ND1' ' A' ' 98' ' ' HIS . 77.2 m-20 58.42 37.45 25.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 72.41 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 59.95 34.28 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.43 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.97 -173.79 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 73.44 110.387 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.631 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -147.08 94.8 4.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.43 109.298 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.451 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 164.04 34.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.773 . . . . 63.53 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.86 40.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 63.34 110.976 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -17.33 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 73.11 110.397 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.17 -26.58 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 34.31 109.267 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.45 133.98 19.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 74.52 109.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -86.07 135.64 33.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 64.41 109.302 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.9 mmm -62.93 -11.71 20.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.04 110.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.596 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 53.9 p -84.28 -44.45 13.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 64.33 109.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.3 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 64.14 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.877 HG23 ' CD2' ' A' ' 98' ' ' HIS . 19.3 mm -65.51 -61.36 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 64.24 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.836 ' CD2' HG23 ' A' ' 29' ' ' ILE . 4.1 t80 -54.92 -22.1 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 75.33 110.996 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.63 -36.38 76.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 74.31 110.307 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -109.01 -0.77 19.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 50.42 110.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.877 ' CD2' HG23 ' A' ' 94' ' ' ILE . 42.8 m-70 -109.53 -21.47 12.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 72.53 109.603 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -44.65 142.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 75.12 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.12 179.75 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 75.03 109.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -68.16 -17.97 64.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 70.21 109.303 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 104' ' ' PHE . 3.7 p-10 -90.71 -14.77 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 62.3 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -54.02 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 75.34 110.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -51.64 170.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 75.42 110.982 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.902 ' HB3' HG22 ' A' ' 31' ' ' VAL . 5.9 tp -115.08 128.34 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 75.31 109.32 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -101.7 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 52.43 110.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.648 HG23 ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -144.04 165.31 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 72.43 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 34' ' ' GLU . 5.3 m -155.58 133.21 11.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.01 110.401 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 35' ' ' LYS . 2.2 p90 -107.61 -179.91 4.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 70.22 110.938 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.5 p -169.96 131.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 72.21 110.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.48 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -47.26 -23.51 1.88 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 64.1 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -104.67 157.74 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 74.14 110.328 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.72 70.18 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 61.34 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 71.23 110.408 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.323 -0.251 . . . . 62.12 110.323 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -61.56 -42.39 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 74.34 109.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -53.22 -61.76 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.24 109.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.98 -52.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 62.23 110.287 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -51.42 -45.92 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 74.01 110.029 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.9 mt-10 -55.68 -26.82 46.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 62.34 110.256 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -79.96 -34.04 39.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 75.31 110.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.824 HG21 ' HG3' ' A' ' 30' ' ' PRO . 29.2 mt -77.21 -27.63 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 72.41 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.94 -22.07 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 63.45 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -94.01 -18.04 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.1 109.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -105.19 -64.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 74.55 110.302 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.3 m-85 -121.83 76.05 38.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 75.41 111.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 75.43 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -101.34 12.59 37.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 63.52 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 50' ' ' LEU . 6.4 mmm180 -112.15 -177.86 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 71.12 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 95' ' ' TYR . 45.8 mt -147.0 90.55 5.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 74.32 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.824 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 102.38 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 71.54 111.02 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.681 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -87.48 154.57 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 74.44 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.4 mm -133.1 92.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 63.03 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 14.2 p -89.0 157.42 18.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 61.34 108.326 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 108' ' ' THR . 31.6 mt-10 -136.45 119.97 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.03 110.304 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HZ2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -40.24 139.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 72.12 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.569 ' HB3' ' OG ' ' A' ' 39' ' ' SER . . . -98.36 109.47 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 65.03 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -47.57 -33.69 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 70.22 110.314 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -57.5 -42.94 83.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 63.4 109.272 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.569 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -56.63 167.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.43 109.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -124.56 13.61 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 73.13 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.555 HD11 ' HZ2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -79.34 161.73 66.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 72.43 109.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.65 19.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 75.05 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.6 161.59 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 74.32 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.79 ' CG2' HG23 ' A' ' 68' ' ' ILE . 29.8 pt -109.81 -172.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 63.34 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -80.15 -55.85 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 74.23 109.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.487 ' HD3' HH21 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -158.88 160.95 36.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 72.11 109.329 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.589 ' HG3' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -105.69 101.85 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 72.1 110.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -158.78 110.72 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 71.32 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.653 ' HB2' HG12 ' A' ' 31' ' ' VAL . 49.6 m-85 -136.47 123.9 22.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 74.12 110.965 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 30' ' ' PRO . 5.7 mt -109.47 101.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 75.12 109.305 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.853 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.58 152.5 42.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 65.34 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.23 14.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 65.13 111.025 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 92' ' ' SER . . . -89.16 17.77 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 73.25 109.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -124.54 1.96 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.1 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.853 HD13 HG12 ' A' ' 51' ' ' VAL . 4.0 tt -92.28 154.1 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 63.14 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.7 p -100.96 160.81 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 74.54 110.396 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.593 HG22 ' SD ' ' A' ' 91' ' ' MET . 63.9 t -55.91 -52.42 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 65.43 109.279 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.68 -42.91 2.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 74.32 110.983 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -57.31 -43.23 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 64.44 110.268 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.681 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 20.5 t80 -61.22 -58.85 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.22 111.0 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 78' ' ' ILE . 21.8 t -40.43 -29.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.53 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' PHE . 7.8 t80 -77.7 -48.32 17.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 62.21 110.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.912 HG12 HD12 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -46.01 -45.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 65.02 109.345 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.912 HD12 HG12 ' A' ' 63' ' ' VAL . 1.4 mp -63.92 -51.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 71.54 109.246 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.9 ttp180 -46.04 -24.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 44.1 110.354 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -50.95 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 64.55 109.282 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.487 HH21 ' HD3' ' A' ' 46' ' ' LYS . 3.9 mmt-85 -54.17 -28.13 38.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 71.34 110.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.925 HD12 HD22 ' A' ' 70' ' ' LEU . 1.3 pt -107.07 -14.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 62.24 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.5 ptp 42.44 47.19 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 73.34 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.925 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -64.47 164.76 17.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 64.13 109.328 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.39 27.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 74.22 110.961 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.812 . . . . 75.51 111.027 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.48 -36.42 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 62.42 110.337 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.37 173.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 53.13 109.281 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.84 108.43 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 73.33 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.705 HD13 HD11 ' A' ' 68' ' ' ILE . 3.5 tt -99.37 159.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 75.41 109.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -148.51 137.87 21.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 75.31 110.992 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 61' ' ' VAL . 15.8 mm -93.65 152.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 55.34 109.279 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 114' ' ' THR . 4.5 m-85 -136.71 140.22 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 64.41 111.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.619 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -126.6 123.8 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 50.14 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.635 HD22 ' N ' ' A' ' 81' ' ' ASN . 1.3 m-80 59.12 41.5 20.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 72.32 109.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.22 30.9 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.51 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.546 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -128.63 176.42 7.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 64.33 110.399 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.546 ' N ' HG23 ' A' ' 83' ' ' THR . 0.6 OUTLIER -133.19 95.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 64.22 109.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.75 28.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.541 1.811 . . . . 72.54 111.027 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.0 157.27 42.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 53.41 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.17 -14.29 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 73.05 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.96 -26.69 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 53.43 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.17 136.07 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.34 109.336 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.3 tp -86.3 132.89 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 64.43 109.317 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.593 ' SD ' HG22 ' A' ' 57' ' ' VAL . 86.3 mmm -61.29 -13.06 16.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 70.52 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.453 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 55.0 p -81.13 -45.9 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.14 110.015 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.26 -31.78 58.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 62.43 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.687 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.4 mm -67.6 -60.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.14 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.604 ' CD2' HG23 ' A' ' 29' ' ' ILE . 6.4 t80 -61.05 -22.08 64.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 62.44 110.979 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.18 -34.86 77.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 71.53 110.305 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.5 -0.71 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 74.05 110.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.687 ' CD2' HG23 ' A' ' 94' ' ' ILE . 80.4 m-70 -114.08 -12.19 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 53.01 109.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -45.11 142.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.55 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.401 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 3.0 t70 -96.86 179.66 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 72.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -76.91 -12.95 60.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 71.3 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.5 p30 -103.32 14.24 31.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 63.33 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.31 -61.89 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 71.31 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -46.34 172.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 54.23 110.984 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.485 HD11 ' C ' ' A' ' 98' ' ' HIS . 8.3 tp -115.33 165.16 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 71.45 109.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -131.51 122.2 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 74.41 111.008 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.51 HG21 ' HE2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -143.74 177.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.34 109.296 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 34' ' ' GLU . 2.3 m -151.05 132.47 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 65.31 110.413 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.404 ' HB3' ' CD1' ' A' ' 78' ' ' ILE . 46.1 p90 -113.94 136.53 52.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.55 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.441 ' HG ' ' CB ' ' A' ' 39' ' ' SER . 37.8 t -142.41 153.1 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 54.13 109.959 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.42 -6.01 52.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.523 1.14 . . . . 65.34 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.653 ' HG2' HG23 ' A' ' 114' ' ' THR . 34.1 tt0 -109.32 156.65 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.786 . . . . 74.03 110.322 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.64 50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 52.13 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.653 HG23 ' HG2' ' A' ' 112' ' ' GLU . 22.9 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 64.45 110.406 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.514 HH21 ' HB3' ' A' ' 104' ' ' PHE . 13.3 ptm180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.308 -0.256 . . . . 64.02 110.308 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 25.3 tttp -47.4 -34.64 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.31 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.48 -44.72 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 63.15 109.247 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -47.39 -48.18 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 63.04 110.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -60.4 -45.39 93.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 55.13 109.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -51.19 -27.48 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 64.41 110.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -80.57 -57.44 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 43.54 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.438 HD13 ' HB3' ' A' ' 30' ' ' PRO . 8.4 mt -56.48 -20.65 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 64.53 109.333 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.8 -32.07 27.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 62.32 109.337 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.64 -35.14 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.24 109.287 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 5.3 tpt180 -84.41 -49.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.35 110.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 2.1 m-85 -139.89 88.29 12.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 61.33 111.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.44 12.54 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 72.45 110.995 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.32 24.37 11.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 62.41 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.862 ' HG3' HD11 ' A' ' 50' ' ' LEU . 18.9 mmt-85 -117.97 -177.81 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 75.54 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.627 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 13.6 mt -149.95 96.37 3.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.51 109.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.06 95.62 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 70.12 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -85.77 160.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 71.02 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.539 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 8.1 mm -134.23 93.6 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 65.23 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.824 ' HB2' HG13 ' A' ' 107' ' ' VAL . 46.0 t -98.45 157.21 16.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 60.52 108.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 108' ' ' THR . 39.6 mt-10 -139.92 118.43 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 71.24 110.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -50.01 136.53 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.53 109.267 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.879 ' HB3' ' HB3' ' A' ' 39' ' ' SER . . . -66.0 109.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 61.31 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.53 -44.45 56.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 75.52 110.275 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -62.29 -35.83 80.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 74.12 109.257 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.879 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.0 p -46.82 171.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 73.03 109.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.36 19.36 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 74.21 109.302 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.692 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -89.68 161.09 40.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 75.12 109.302 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.708 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.99 121.88 6.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.768 . . . . 71.25 110.963 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.64 164.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 61.32 110.311 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.755 HG21 ' HB3' ' A' ' 67' ' ' ARG . 4.7 pt -105.83 170.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 71.02 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -63.15 -57.4 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 51.43 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 -174.43 3.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 70.14 109.313 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.547 ' NH2' ' CG ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -126.17 101.61 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 71.44 110.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -159.46 115.94 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 70.53 109.265 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.722 ' HB2' HG12 ' A' ' 31' ' ' VAL . 81.1 m-85 -129.7 93.77 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 62.51 110.977 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.862 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.1 tm? -77.18 92.0 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 74.01 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.73 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 146.16 33.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 74.3 109.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -75.01 173.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 75.45 110.99 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -90.03 18.53 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.14 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -124.63 2.05 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 71.32 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.73 HD13 HG12 ' A' ' 51' ' ' VAL . 5.5 tt -94.66 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 64.43 109.345 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.583 HG22 ' CD1' ' A' ' 90' ' ' LEU . 11.5 p -111.58 165.01 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.54 110.384 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -52.22 -39.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 65.33 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.498 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -42.88 -61.29 2.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 70.45 111.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.62 ' CB ' HD11 ' A' ' 55' ' ' LEU . 65.7 mm-40 -45.83 -49.34 15.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 70.54 110.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.403 ' C ' ' N ' ' A' ' 62' ' ' TYR . 10.1 t80 -49.69 -58.43 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 54.23 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.919 HG22 HG12 ' A' ' 78' ' ' ILE . 25.0 t -44.57 -28.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.53 109.353 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 3.1 t80 -84.81 -44.21 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.45 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 t -52.76 -55.53 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 75.21 109.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.582 HG22 HD11 ' A' ' 68' ' ' ILE . 2.1 mp -54.25 -53.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 74.04 109.284 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' MET . 12.9 ttp85 -39.73 -32.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 71.1 110.332 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -80.48 -47.92 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 64.33 109.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.755 ' HB3' HG21 ' A' ' 44' ' ' ILE . 3.0 mpt_? -56.31 -28.87 60.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 74.31 110.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.772 HD12 HD12 ' A' ' 70' ' ' LEU . 1.3 pt -107.7 -11.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.12 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 21.0 ptp 41.4 50.71 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 75.44 110.953 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 68' ' ' ILE . 11.9 mt -64.51 163.97 23.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 74.24 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 157.42 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 65.33 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.77 10.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 64.41 111.031 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.85 -13.61 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 74.31 110.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -95.8 178.88 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 62.2 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.49 108.36 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 72.44 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.628 HD12 ' CD1' ' A' ' 68' ' ' ILE . 6.8 tt -95.53 154.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 74.4 109.298 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 80.7 m-85 -137.33 149.28 46.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 61.41 110.986 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.919 HG12 HG22 ' A' ' 61' ' ' VAL . 3.7 mm -100.1 158.87 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.04 109.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 1.072 ' CE2' HD12 ' A' ' 84' ' ' LEU . 14.6 m-85 -147.2 151.81 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 74.33 111.009 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.608 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -137.44 123.85 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 71.43 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 55.67 51.8 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 74.45 109.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 52.91 44.12 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 64.34 109.29 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.571 HG22 HG22 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -143.76 171.08 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 71.4 110.451 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.072 HD12 ' CE2' ' A' ' 79' ' ' PHE . 1.7 tt -128.14 95.2 34.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 70.43 109.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 169.13 23.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 72.04 110.968 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.37 40.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 74.54 110.976 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.498 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -82.11 -13.33 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 75.21 110.393 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.13 -22.6 26.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 73.42 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.597 ' HB1' ' CG1' ' A' ' 94' ' ' ILE . . . -48.82 139.65 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.43 109.285 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.583 ' CD1' HG22 ' A' ' 56' ' ' THR . 6.3 tp -91.57 131.57 36.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 64.53 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.7 mmm -60.25 -15.41 24.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 64.22 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 -43.38 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 65.4 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.08 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 73.04 109.31 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.648 HG23 ' CD2' ' A' ' 98' ' ' HIS . 15.7 mm -46.2 -58.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 71.31 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 t80 -59.24 -31.97 69.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 72.11 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -70.08 -28.66 65.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 72.34 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.87 -0.58 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 75.42 110.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.648 ' CD2' HG23 ' A' ' 94' ' ' ILE . 84.8 m-70 -122.52 0.21 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 65.23 109.576 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -69.28 134.86 49.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 74.31 109.307 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.507 ' CG ' ' CE1' ' A' ' 106' ' ' TYR . 9.1 m-20 -102.62 179.23 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 70.23 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.42 109.257 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -86.9 9.04 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 71.44 109.313 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.13 -67.87 0.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 74.32 110.957 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -46.89 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 75.44 110.954 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 95' ' ' TYR . 8.1 tp -113.37 165.07 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 65.13 109.34 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -133.2 119.01 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.24 110.994 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -136.01 164.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 75.44 109.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' GLU . 93.1 m -152.44 126.72 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 61.12 110.386 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.692 ' HE1' HD11 ' A' ' 41' ' ' ILE . 5.6 p90 -113.7 151.93 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 62.35 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.1 p -144.69 148.1 33.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.1 110.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -56.23 -17.01 16.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 75.33 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -104.86 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 75.32 110.304 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -92.55 23.7 3.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 64.44 109.249 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.487 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 2.5 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 73.03 110.424 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 9.6 mmm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.3 -0.259 . . . . 74.43 110.3 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -66.23 -49.29 67.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 71.53 109.29 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.97 -42.12 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 75.04 109.301 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -67.97 -19.76 64.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 74.24 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -87.43 -36.32 17.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 73.04 110.046 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 61.52 110.237 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -82.42 -44.0 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 64.14 110.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.417 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 35.8 mt -65.93 -31.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 71.13 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -82.88 -43.14 16.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 44.52 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.92 -47.58 80.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 72.35 109.289 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -79.73 -46.93 16.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 74.14 110.345 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.4 m-85 -130.46 77.13 76.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 64.21 111.006 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.95 -0.88 10.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 75.43 111.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.17 22.17 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 72.34 109.299 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.465 ' HB3' HD11 ' A' ' 50' ' ' LEU . 13.9 mmt180 -118.01 -177.91 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 73.14 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.628 HG23 ' CD2' ' A' ' 95' ' ' TYR . 2.8 mt -141.96 92.91 7.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 70.25 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.56 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -74.95 103.58 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 73.21 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 105' ' ' LEU . 3.8 t -101.21 152.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 65.33 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.0 mm -122.58 92.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 65.43 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -85.26 127.21 34.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 72.11 108.304 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -112.85 148.17 35.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 74.41 110.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 143.13 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 75.33 109.258 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.669 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -108.75 109.0 20.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 72.12 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -49.98 -41.75 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.42 110.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 27.0 mttp -44.53 -36.75 3.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 71.12 109.286 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -68.22 173.85 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.32 110.043 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -119.99 1.01 10.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 74.14 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.972 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -74.08 163.12 70.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 61.1 109.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.21 36.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 51.12 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 64.42 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 68' ' ' ILE . 4.8 pt -113.09 -172.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 61.4 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -76.47 -57.52 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 72.44 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 -172.96 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 74.15 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.648 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -116.2 106.18 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 74.45 110.301 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -158.6 103.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 72.32 109.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 6.0 m-85 -126.69 133.73 50.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 53.42 110.983 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 28' ' ' ARG . 13.7 tp -131.34 100.96 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 52.24 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.77 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -112.55 154.66 44.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 71.13 109.344 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.13 15.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.475 1.776 . . . . 72.34 110.991 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.76 18.33 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 61.2 109.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -124.63 2.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 62.22 109.251 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.77 HD13 HG12 ' A' ' 51' ' ' VAL . 4.8 tt -94.25 155.88 16.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 65.41 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 16.4 p -108.89 164.37 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 63.41 110.431 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.7 t -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 61.01 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.23 -57.6 2.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 72.42 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.463 ' HB2' HD11 ' A' ' 55' ' ' LEU . 42.5 mm-40 -45.38 -46.6 13.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 74.55 110.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.604 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 19.3 t80 -52.78 -50.0 64.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.32 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.932 HG22 HG12 ' A' ' 78' ' ' ILE . 16.2 t -48.77 -30.9 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 61.2 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.4 t80 -82.86 -31.61 27.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 64.54 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 t -58.31 -50.91 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 54.43 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.655 HG22 HD11 ' A' ' 68' ' ' ILE . 2.2 mp -59.63 -51.23 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.13 109.287 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' MET . 31.5 ttm-85 -42.42 -29.04 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.142 . . . . 65.55 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -79.3 -46.16 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 71.15 109.326 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.54 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -58.6 -31.06 67.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.44 110.281 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.136 HD12 HD22 ' A' ' 70' ' ' LEU . 1.4 pt -107.21 -5.12 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.42 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.0 ptp 41.68 48.93 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 62.34 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.136 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -73.76 156.52 88.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 53.22 109.268 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 75.12 111.0 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 62.1 111.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -95.08 -35.93 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 71.43 110.275 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.02 177.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.32 109.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.41 109.03 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 52.32 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.683 HD13 HD11 ' A' ' 68' ' ' ILE . 2.5 tt -108.08 142.61 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.33 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.719 ' C ' HD13 ' A' ' 78' ' ' ILE . 60.8 m-85 -123.0 139.9 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 74.34 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.932 HG12 HG22 ' A' ' 61' ' ' VAL . 1.4 mm -96.1 131.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 64.13 109.288 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 84' ' ' LEU . 54.4 m-85 -126.25 117.66 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.15 111.001 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.58 HG12 HG22 ' A' ' 83' ' ' THR . 1.3 p -110.75 131.63 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 60.52 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.51 HD22 HG22 ' A' ' 80' ' ' VAL . 3.1 m-80 45.44 64.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 51.31 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 40.49 36.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 72.14 109.282 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -136.27 179.09 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 53.31 110.369 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.855 HD13 ' CE1' ' A' ' 79' ' ' PHE . 2.9 tp -139.72 99.69 7.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 61.25 109.332 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 164.08 34.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 63.12 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.02 162.14 37.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 63.44 110.967 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -79.65 -0.9 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 63.04 110.388 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.5 -30.58 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 60.04 109.355 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -42.13 142.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 61.02 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 90' ' ' LEU . 7.2 tp -94.52 136.57 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 61.14 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.511 ' O ' HD13 ' A' ' 29' ' ' ILE . 72.3 mmm -61.99 -12.63 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.44 110.991 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -78.75 -49.76 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 73.45 110.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.74 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 74.51 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.498 HG23 ' CD2' ' A' ' 98' ' ' HIS . 17.3 mm -63.22 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 64.53 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.697 ' CD2' HD13 ' A' ' 105' ' ' LEU . 3.0 t80 -56.16 -21.9 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 73.42 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.63 -38.38 86.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 72.01 110.235 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -110.87 -0.73 16.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 72.12 110.287 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.518 ' CE1' HG13 ' A' ' 80' ' ' VAL . 92.8 m-70 -119.33 27.27 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 53.2 109.557 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -101.67 131.74 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 74.32 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -90.47 179.97 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 54.4 109.333 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -63.94 -15.54 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 70.5 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -92.96 -15.21 26.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 74.12 109.294 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.51 -51.4 1.38 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.471 1.107 . . . . 35.44 110.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 2.3 m-85 -46.15 172.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 72.41 110.991 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.697 HD13 ' CD2' ' A' ' 95' ' ' TYR . 2.8 mp -113.98 155.87 25.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 52.52 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -125.24 105.62 9.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 72.25 110.976 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.505 HG21 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -132.65 160.94 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.23 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.669 HG22 ' HB2' ' A' ' 36' ' ' ALA . 6.3 m -143.94 130.85 20.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 63.15 110.385 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.972 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.7 p90 -101.5 152.67 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 71.32 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.5 p -158.57 123.62 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 33.12 109.999 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -45.46 -24.96 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 41.21 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.09 159.73 15.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 70.04 110.299 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -96.33 69.61 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 64.41 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.546 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 3.3 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 53.22 110.382 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 85.8 mtm180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.298 -0.26 . . . . 73.15 110.298 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -48.03 -32.89 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 72.42 109.335 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.71 -39.06 80.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 55.35 109.278 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.965 ' O ' HD12 ' A' ' 21' ' ' ILE . 12.0 tt0 -58.17 -26.87 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 64.4 110.243 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -87.59 -21.07 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 53.53 109.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.05 -38.76 69.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 63.31 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 10.3 ptt85 -74.58 -43.56 55.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 71.13 110.297 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.965 HD12 ' O ' ' A' ' 17' ' ' GLU . 1.8 mt -60.94 -21.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 61.13 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.12 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 52.22 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.2 -14.91 34.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 73.31 109.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.588 ' CG ' ' CE2' ' A' ' 25' ' ' PHE . 8.6 tpt180 -101.57 -61.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 75.1 110.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CE2' ' CG ' ' A' ' 24' ' ' ARG . 1.6 m-85 -136.97 89.99 16.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 75.31 111.012 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.67 10.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.32 110.993 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -107.17 12.23 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 62.32 109.268 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -100.1 175.53 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 63.12 110.324 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.668 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.0 mt -136.11 96.44 12.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 75.4 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HB3' HD13 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.01 82.4 2.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 51.04 110.989 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.825 ' CG2' HD13 ' A' ' 105' ' ' LEU . 2.0 t -87.86 129.77 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 54.14 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -110.3 107.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.33 109.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -95.72 129.22 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 64.11 108.269 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.982 ' O ' HG23 ' A' ' 108' ' ' THR . 23.9 mt-10 -113.7 118.35 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 73.34 110.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.15 133.75 56.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 54.51 109.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -66.52 119.52 11.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 73.25 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -45.78 -39.62 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 75.4 110.264 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' SER . 28.8 mttm -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 74.31 109.294 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -39.47 134.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 72.3 109.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -96.95 27.69 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 74.4 109.336 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.504 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -99.95 162.19 21.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 74.15 109.314 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.39 17.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 64.43 110.985 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.72 170.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.14 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 68' ' ' ILE . 4.3 pt -119.21 173.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 63.45 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.72 -61.82 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 52.55 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -146.75 163.45 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 74.54 109.285 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.458 ' O ' HD11 ' A' ' 32' ' ' ILE . 52.0 mtt85 -101.75 101.19 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 62.33 110.301 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.56 133.18 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 65.13 109.329 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.456 ' CE2' ' CB ' ' A' ' 33' ' ' CYS . 89.9 m-85 -145.95 93.85 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 72.22 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -89.8 96.52 10.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 73.01 109.34 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.965 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.82 151.84 43.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 41.43 109.259 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.12 15.06 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 74.44 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.668 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -87.21 14.15 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 51.41 109.319 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -124.4 7.25 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 74.42 109.331 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 HG12 ' A' ' 51' ' ' VAL . 5.9 tt -96.65 155.2 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.31 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 p -108.78 154.92 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.02 110.387 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 61' ' ' VAL . 97.8 t -49.33 -38.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 61.54 109.321 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.485 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -40.18 -48.7 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 71.12 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 22.3 mm-40 -64.83 -49.32 71.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 75.23 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 31' ' ' VAL . 1.4 t80 -48.2 -51.59 24.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 75.22 111.039 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.772 HG22 HG13 ' A' ' 78' ' ' ILE . 3.8 t -62.58 -21.68 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 62.34 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -77.57 -61.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.44 111.044 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 60' ' ' PHE . 4.0 m -40.4 -43.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 70.3 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.631 HD11 ' CE1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -56.25 -57.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 75.54 109.3 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -47.24 -24.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 52.52 110.317 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.5 -45.21 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 75.43 109.241 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.549 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -57.93 -26.41 62.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 75.41 110.278 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.111 HD12 HD22 ' A' ' 70' ' ' LEU . 1.3 pt -111.23 -10.69 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 50.21 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 14.6 ptp 42.38 45.95 3.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.12 111.037 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.111 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -66.29 160.61 64.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 60.23 109.266 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 168.37 24.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.807 . . . . 75.1 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.08 9.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 72.02 110.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.57 -35.28 11.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.42 110.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -64.13 166.77 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 72.42 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.18 112.14 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 51.22 109.273 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.529 ' CD1' HD11 ' A' ' 68' ' ' ILE . 2.2 tt -104.19 165.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.13 109.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -156.59 141.02 16.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 71.24 111.02 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.772 HG13 HG22 ' A' ' 61' ' ' VAL . 9.3 mm -88.56 160.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 70.43 109.251 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 84' ' ' LEU . 65.1 m-85 -149.39 116.08 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.14 111.001 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.671 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.4 m -116.85 126.28 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 63.13 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 50.64 57.8 6.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 65.23 109.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 44.89 47.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 73.21 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.647 HG22 HG22 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -140.11 -173.5 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 61.4 110.397 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.646 ' N ' HG23 ' A' ' 83' ' ' THR . 0.4 OUTLIER -144.0 95.0 5.75 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 62.22 109.283 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.59 42.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 64.34 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 72.34 111.025 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.485 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -86.06 -9.99 55.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 75.43 110.353 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.59 16.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 64.33 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -40.97 140.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 64.42 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.8 tp -90.1 134.36 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 74.45 109.262 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.608 ' CB ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -60.9 -17.27 49.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 74.34 111.009 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -73.27 -48.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 72.52 109.972 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -40.82 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 53.21 109.281 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.565 HG23 ' CD2' ' A' ' 98' ' ' HIS . 19.4 mm -54.84 -57.0 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 65.22 109.263 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.792 ' HB2' HD11 ' A' ' 105' ' ' LEU . 2.8 t80 -62.88 -31.78 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.43 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -67.78 -26.91 66.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 63.4 110.263 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -110.98 -1.44 16.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 70.21 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.775 ' O ' HD23 ' A' ' 105' ' ' LEU . 96.5 m-70 -126.19 19.47 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 44.24 109.565 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -84.47 137.37 33.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 74.24 109.276 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.61 179.94 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 64.13 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.0 -61.97 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 72.23 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -47.71 -46.22 29.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 65.03 109.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 3.86 9.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.536 1.147 . . . . 62.42 110.974 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -94.19 132.94 38.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 74.43 110.99 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.825 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.0 mt -79.74 149.41 31.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.41 109.268 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 104' ' ' PHE . 98.3 m-85 -133.58 116.17 15.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 72.42 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.545 ' CG1' HG13 ' A' ' 31' ' ' VAL . 2.1 p -140.94 165.63 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 73.14 109.306 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.982 HG23 ' O ' ' A' ' 34' ' ' GLU . 3.5 m -144.87 139.91 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 73.35 110.359 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.504 ' CE2' HD11 ' A' ' 41' ' ' ILE . 14.3 p90 -126.69 152.72 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.24 111.046 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.0 t -144.41 169.26 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 71.15 109.984 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.63 21.78 24.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 73.54 111.044 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.3 157.35 43.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 53.55 110.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.411 ' ND2' HD13 ' A' ' 84' ' ' LEU . 2.3 t-20 -93.92 70.58 4.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 74.3 109.29 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.481 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 4.2 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 61.34 110.376 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.42 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 25.3 mtt-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.335 -0.246 . . . . 75.11 110.335 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -41.59 -42.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 72.11 109.343 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.75 -60.21 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.11 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.65 -43.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 74.12 110.334 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -63.44 -46.6 85.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.02 109.965 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ALA . 7.4 mm-40 -50.96 -27.16 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 61.14 110.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -79.47 -50.85 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.795 HG21 ' HG3' ' A' ' 30' ' ' PRO . 19.3 mt -60.33 -24.83 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 72.2 109.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.51 -26.77 34.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 54.14 109.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.2 -15.03 32.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 71.52 109.246 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.563 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -105.72 -62.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 72.01 110.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 6.3 m-85 -121.95 76.29 39.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 71.13 111.027 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 74.25 110.977 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -102.84 14.34 32.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 63.42 109.256 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.4 mmt-85 -115.49 -177.93 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 75.13 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' VAL . 33.9 mt -147.69 91.44 4.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.21 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.795 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.95 100.9 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 73.23 111.03 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -85.54 163.85 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 65.4 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.935 ' CG2' HH21 ' A' ' 47' ' ' ARG . 18.5 mm -133.64 92.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 71.23 109.289 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 107' ' ' VAL . 1.7 m -93.26 157.37 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 51.14 108.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.907 ' O ' HG23 ' A' ' 108' ' ' THR . 1.7 pt-20 -146.72 118.85 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 71.21 110.3 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.805 ' HG2' HD11 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -57.12 132.56 53.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 71.54 109.327 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.534 ' HB3' ' OG ' ' A' ' 39' ' ' SER . . . -78.94 109.91 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 72.43 109.272 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 15.6 pt-20 -42.62 -47.86 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 71.32 110.316 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.36 -47.07 9.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 74.2 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -49.26 170.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 53.0 109.978 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.32 15.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.11 109.304 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.805 HD11 ' HG2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -72.68 160.41 82.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 70.13 109.276 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.569 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.0 126.88 10.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 74.31 110.985 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.66 158.38 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 61.43 110.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.812 ' CG2' HG23 ' A' ' 68' ' ' ILE . 47.4 pt -111.56 -174.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 71.2 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -82.48 -53.06 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 73.25 109.289 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -151.57 173.18 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.12 109.319 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.935 HH21 ' CG2' ' A' ' 32' ' ' ILE . 2.1 ptm180 -117.8 101.31 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 65.11 110.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 127.16 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 73.24 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.797 ' HB2' HG12 ' A' ' 31' ' ' VAL . 75.8 m-85 -145.15 98.7 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 74.53 110.971 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD21 HD13 ' A' ' 21' ' ' ILE . 11.8 mt -88.2 97.14 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 73.53 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.945 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.44 150.31 40.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 71.41 109.277 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.6 14.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 74.32 110.986 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HB1' ' OG ' ' A' ' 92' ' ' SER . . . -88.5 17.54 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 53.42 109.314 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -124.62 1.9 8.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 64.23 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.945 HD13 HG12 ' A' ' 51' ' ' VAL . 6.9 tt -89.93 156.34 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 74.42 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -108.05 159.59 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 52.35 110.398 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' PHE . 92.0 t -54.04 -47.37 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 55.33 109.324 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.05 -56.22 2.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 73.35 111.004 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -49.27 -41.6 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 72.34 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.767 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 2.7 t80 -56.23 -60.47 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 73.53 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -40.68 -29.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 52.44 109.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.446 ' N ' ' C ' ' A' ' 60' ' ' PHE . 10.6 t80 -86.05 -43.43 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 70.12 111.037 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.558 HG12 ' CD1' ' A' ' 49' ' ' TYR . 15.4 t -55.5 -38.02 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 55.25 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' A' ' 60' ' ' PHE . 3.6 mp -68.47 -57.83 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 65.12 109.301 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 72' ' ' PRO . 24.8 ttp180 -39.01 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 74.12 110.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -73.62 -53.12 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 61.25 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.611 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -51.31 -21.11 1.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.431 1.082 . . . . 74.24 110.28 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.993 HD12 HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -108.13 -21.16 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 44.51 109.284 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ARG . 1.1 mtt 68.52 27.08 6.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.51 110.969 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.993 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -64.05 156.12 75.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 75.33 109.316 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.54 20.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 53.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 18.3 Cg_endo -75.03 -3.24 13.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.821 . . . . 74.54 111.017 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -91.63 -35.28 14.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.41 110.279 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 172.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 71.34 109.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.31 106.06 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 40.3 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.757 HD12 ' CD1' ' A' ' 68' ' ' ILE . 2.8 tt -100.33 132.2 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 73.12 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 112' ' ' GLU . 23.6 m-85 -105.56 146.71 29.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 51.01 110.994 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.54 HG22 ' CG2' ' A' ' 107' ' ' VAL . 3.4 mm -109.43 139.41 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 54.21 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 94.6 m-85 -124.99 111.24 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.13 110.946 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.712 ' O ' HG22 ' A' ' 83' ' ' THR . 41.2 t -98.49 121.71 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 71.44 109.316 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' VAL . 9.6 m-80 40.35 53.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.13 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 56.04 43.85 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.42 109.274 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -142.18 155.73 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 63.34 110.399 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.527 HD13 ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -127.48 92.27 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 75.25 109.31 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.93 25.95 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.463 1.77 . . . . 74.32 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.09 173.2 14.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.536 1.809 . . . . 51.13 110.983 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.63 -11.27 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.03 110.377 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -26.71 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 53.13 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.476 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -45.96 139.66 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.31 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -88.96 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 65.21 109.292 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 81.2 mmm -66.4 -9.31 32.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 63.23 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.437 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 7.9 t -86.31 -43.11 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 72.05 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.97 -28.39 32.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 72.24 109.29 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 94' ' ' ILE . 15.7 mm -70.01 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.52 109.292 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 1.8 t80 -58.33 -25.46 61.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 61.45 111.03 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -71.1 -35.67 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 64.53 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -99.43 -1.89 37.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 72.13 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.418 ' O ' HD12 ' A' ' 105' ' ' LEU . 30.1 m-70 -126.06 10.76 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.12 109.594 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.17 134.45 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 72.11 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -78.3 178.57 7.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 73.35 109.242 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -80.02 -15.52 57.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 72.43 109.293 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -104.43 10.73 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.01 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.81 -59.84 3.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 63.24 111.019 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -44.15 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 74.54 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 95' ' ' TYR . 8.1 tp -115.05 122.12 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 75.45 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.0 114.75 27.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 72.41 110.977 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -140.56 159.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 53.13 109.31 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.907 HG23 ' O ' ' A' ' 34' ' ' GLU . 52.6 m -143.9 125.69 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.02 110.368 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 5.5 p90 -107.4 155.63 19.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 71.43 111.005 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.4 t -151.85 133.28 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 62.43 109.977 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.432 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -48.41 -25.9 4.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 62.53 111.036 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 17.1 pt-20 -91.21 -179.48 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 65.35 110.306 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 10.8 t-20 -119.6 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 51.12 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.59 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.0 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 63.42 110.394 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.305 -0.258 . . . . 73.42 110.305 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -64.97 -24.46 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.33 109.271 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.7 -52.43 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.05 109.321 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -54.53 -33.77 60.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 72.42 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -69.77 -42.7 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.01 109.983 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -50.33 -33.69 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.33 110.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -79.31 -52.69 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 73.41 110.235 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.678 HG21 ' HG3' ' A' ' 30' ' ' PRO . 15.9 mt -58.37 -21.4 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 71.13 109.284 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.43 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 70.31 109.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.84 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 75.53 109.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 27.3 tpt180 -99.61 -58.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 72.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.496 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 10.8 m-85 -122.78 75.12 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 65.44 110.982 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 75.02 110.994 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -104.76 -6.09 20.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 75.53 109.301 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 71.2 mmt-85 -93.82 -177.9 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 73.4 110.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.831 HG23 ' CD2' ' A' ' 95' ' ' TYR . 23.2 mt -148.51 92.56 4.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 73.04 109.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.678 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.1 Cg_endo -75.06 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 71.52 110.97 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.628 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -85.67 160.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 55.32 109.257 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 104' ' ' PHE . 7.7 mm -135.55 92.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 64.43 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.3 p -94.56 155.33 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 55.11 108.255 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.008 ' O ' HG23 ' A' ' 108' ' ' THR . 9.6 mt-10 -140.56 120.77 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 71.54 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -58.42 134.77 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 54.32 109.349 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.34 121.92 18.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 74.43 109.296 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.3 pt-20 -56.77 -42.47 79.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 43.14 110.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -58.78 -24.52 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 72.14 109.269 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.426 ' OG ' HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -60.24 176.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.45 109.988 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -133.01 15.1 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 64.53 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.594 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -81.4 163.17 55.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 73.02 109.288 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.491 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.98 123.25 7.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 75.25 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.32 170.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 74.11 110.284 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.635 HG21 ' HB3' ' A' ' 67' ' ' ARG . 7.9 pt -117.74 -174.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 73.01 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -77.15 -57.1 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 74.52 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -151.61 169.24 22.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.22 109.328 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -108.77 101.73 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 53.35 110.268 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -159.07 109.51 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 74.13 109.289 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.729 ' CE1' HG12 ' A' ' 63' ' ' VAL . 33.2 m-85 -133.6 93.84 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 60.23 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 5.8 tp -84.1 98.03 9.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 61.31 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.724 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.23 155.17 42.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 61.14 109.296 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.57 14.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 45.31 111.058 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -88.71 18.33 4.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 55.2 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -119.29 -4.16 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.42 109.325 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.724 HD13 ' CG1' ' A' ' 51' ' ' VAL . 8.3 tt -85.64 158.53 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.1 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 90' ' ' LEU . 11.6 p -118.61 156.1 29.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 44.34 110.427 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 61' ' ' VAL . 50.9 t -43.6 -48.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 64.51 109.305 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -62.18 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 71.34 111.03 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.31 -58.76 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 74.45 110.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 64' ' ' ILE . 29.0 t80 -45.59 -53.66 8.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 73.53 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 57' ' ' VAL . 28.9 t -42.92 -35.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 75.11 109.33 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.4 -42.0 21.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 54.3 110.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.729 HG12 ' CE1' ' A' ' 49' ' ' TYR . 3.3 t -46.11 -45.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 65.01 109.265 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 60' ' ' PHE . 1.9 mp -66.02 -49.94 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 73.52 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 1.018 HH21 HG22 ' A' ' 76' ' ' ILE . 13.6 ttm180 -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 74.34 110.285 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 75.24 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.635 ' HB3' HG21 ' A' ' 44' ' ' ILE . 2.1 mmp_? -55.77 -30.9 62.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 71.41 110.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.007 HD12 HD22 ' A' ' 70' ' ' LEU . 1.9 pt -102.99 -12.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 70.14 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.7 ptp 41.39 49.59 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 63.04 110.968 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.007 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -70.08 157.19 90.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.53 109.272 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.52 22.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 64.23 110.962 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.37 11.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 74.13 111.022 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.55 -27.8 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 73.41 110.317 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 177.88 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.54 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.16 106.58 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 64.52 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 1.018 HG22 HH21 ' A' ' 65' ' ' ARG . 5.1 tt -108.07 164.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.14 109.342 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.429 ' CE2' ' ND2' ' A' ' 113' ' ' ASN . 79.6 m-85 -153.63 136.69 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 71.15 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.623 HG12 HG22 ' A' ' 61' ' ' VAL . 3.0 mm -93.56 145.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.31 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 114' ' ' THR . 3.2 m-85 -129.99 133.45 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 62.34 110.991 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.636 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 p -117.13 132.56 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.41 109.298 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 49.56 48.43 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 62.05 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.31 29.27 14.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.04 109.319 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.669 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -130.33 -173.5 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.31 110.4 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.669 ' N ' HG23 ' A' ' 83' ' ' THR . 0.2 OUTLIER -133.74 100.65 13.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.14 109.293 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.4 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.79 . . . . 72.11 111.016 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.7 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.05 161.61 38.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 62.4 110.963 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 87' ' ' THR . 0.7 OUTLIER -84.99 4.39 34.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 63.22 110.366 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.71 -16.71 13.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 64.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.7 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . . . -58.0 144.75 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 63.2 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.638 HD12 HG22 ' A' ' 56' ' ' THR . 5.8 tp -95.14 130.7 41.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 61.55 109.25 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 87.6 mmm -58.35 -15.83 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 64.21 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.581 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 85.3 p -74.13 -49.35 24.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.32 110.034 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.42 65.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 75.14 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 98' ' ' HIS . 17.4 mm -68.03 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 71.25 109.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.831 ' CD2' HG23 ' A' ' 29' ' ' ILE . 2.3 t80 -58.8 -16.33 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 71.41 110.98 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -74.89 -36.27 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.45 110.305 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.82 -0.8 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 64.51 110.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' ILE . 47.4 m-70 -116.66 19.75 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 73.45 109.596 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 127.52 35.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 52.32 109.3 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.34 179.82 4.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.43 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -65.39 -31.75 73.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.14 109.284 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.77 -19.2 64.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 74.44 109.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.19 -7.27 82.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 75.05 110.957 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CD1' HG13 ' A' ' 32' ' ' ILE . 2.1 m-85 -97.19 177.81 5.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 72.33 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.667 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -106.48 154.9 20.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 44.53 109.305 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -121.15 103.75 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 75.11 111.023 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.558 ' CG2' HG22 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -135.09 163.83 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 72.22 109.302 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 1.008 HG23 ' O ' ' A' ' 34' ' ' GLU . 55.2 m -153.9 118.31 4.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.22 110.401 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.594 ' HE1' HD11 ' A' ' 41' ' ' ILE . 19.7 p90 -101.56 155.14 18.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 75.21 111.005 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.452 ' O ' ' CG1' ' A' ' 76' ' ' ILE . 4.1 t -154.68 169.74 23.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 60.25 109.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.09 -2.5 90.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.555 1.159 . . . . 74.21 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 114' ' ' THR . 12.3 tp10 -105.99 166.56 10.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 72.41 110.336 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.429 ' ND2' ' CE2' ' A' ' 77' ' ' PHE . 26.4 t-20 -103.96 54.88 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 62.25 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 2.8 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 73.4 110.371 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.278 -0.267 . . . . 74.11 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -84.17 -41.41 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 73.12 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.52 84.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 75.42 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 7.1 pt-20 -64.06 -34.12 77.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.31 110.236 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -84.9 -11.27 55.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.25 110.001 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' LYS . 4.3 mm-40 -79.93 -35.8 37.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 74.51 110.272 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 1.9 ptp180 -77.81 -43.36 30.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 75.3 110.325 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 4.5 mt -70.15 -18.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 52.34 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 18' ' ' SER . . . -85.44 -44.54 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 75.13 109.331 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.67 -42.21 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 75.13 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.52 -55.02 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 70.14 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 1.8 m-85 -134.11 83.22 45.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 74.35 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.13 9.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 75.34 110.988 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.7 m-80 -96.93 -5.68 37.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 71.54 109.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.806 ' HG3' HD11 ' A' ' 50' ' ' LEU . 9.2 mmp_? -89.23 -177.97 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 73.24 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 53' ' ' ALA . 4.3 mt -147.49 91.48 5.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 73.41 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.55 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.5 Cg_endo -74.94 86.63 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 73.41 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.648 HG13 ' HB3' ' A' ' 105' ' ' LEU . 44.9 t -85.71 145.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 73.44 109.341 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 47' ' ' ARG . 1.7 mm -111.95 91.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.34 109.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -70.52 157.07 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 71.11 108.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.549 ' OE2' HG22 ' A' ' 32' ' ' ILE . 12.8 mp0 -126.13 156.91 39.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 75.23 110.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.697 ' HZ2' ' C ' ' A' ' 42' ' ' PRO . 4.0 tptm -97.5 132.42 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 65.24 109.304 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.59 107.91 20.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 75.1 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 12.4 pt-20 -69.06 -43.65 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 65.51 110.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 5.5 mmmt -45.53 -31.53 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.45 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t -72.99 169.55 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 73.05 109.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.14 32.36 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 62.53 109.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -108.59 153.7 42.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 71.13 109.255 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.697 ' C ' ' HZ2' ' A' ' 35' ' ' LYS . 18.1 Cg_endo -75.06 161.54 38.43 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 74.4 110.958 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' N ' ' HZ2' ' A' ' 35' ' ' LYS . 19.5 tt0 -79.2 167.64 20.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 72.42 110.338 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 68' ' ' ILE . 6.7 pt -111.06 179.24 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 74.31 109.333 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.434 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -78.29 -52.13 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 61.15 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -156.62 -174.32 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 70.14 109.336 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.718 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -120.73 103.95 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 73.31 110.306 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -158.81 111.18 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 62.4 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 33' ' ' CYS . 69.6 m-85 -136.75 94.97 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 72.31 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.806 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.7 tm? -88.56 93.43 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 70.22 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.702 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.9 153.7 44.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 72.13 109.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 71.33 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -90.25 19.1 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.34 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -124.49 1.97 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 73.01 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.702 HD13 HG12 ' A' ' 51' ' ' VAL . 5.5 tt -92.21 155.47 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 53.1 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 13.4 p -105.1 160.73 14.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 73.33 110.377 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 61' ' ' VAL . 89.6 t -51.16 -43.53 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 75.43 109.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.18 -63.44 2.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 70.24 110.992 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.526 ' HB2' HD11 ' A' ' 55' ' ' LEU . 9.7 mm100 -44.76 -47.89 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 64.35 110.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CE2' HD11 ' A' ' 64' ' ' ILE . 16.3 t80 -59.6 -40.73 88.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 74.51 111.0 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.964 HG22 HG13 ' A' ' 78' ' ' ILE . 14.8 t -60.07 -16.58 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 72.3 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.4 ' HD1' HH21 ' A' ' 65' ' ' ARG . 1.2 t80 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 75.21 111.013 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.18 -38.52 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.33 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' CE2' ' A' ' 60' ' ' PHE . 1.7 mp -69.23 -46.93 76.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 73.33 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.4 ttp180 -54.3 -18.83 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 64.01 110.301 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -50.48 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 73.23 109.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.531 ' HB3' HG22 ' A' ' 44' ' ' ILE . 3.5 mmp_? -54.05 -27.2 30.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.55 110.348 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.973 HD12 HD12 ' A' ' 70' ' ' LEU . 1.2 pt -108.0 -15.17 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 71.15 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.9 ptp 41.35 50.37 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 73.11 110.973 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.973 HD12 HD12 ' A' ' 68' ' ' ILE . 6.4 mt -64.55 161.41 44.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 55.32 109.247 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.35 40.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 63.01 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.782 . . . . 63.13 111.029 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -98.49 -20.57 17.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 72.13 110.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' CD ' HD22 ' A' ' 70' ' ' LEU . 3.3 mttm -84.82 172.34 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 65.11 109.287 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.25 111.74 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 42.42 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.789 HD11 ' HD1' ' A' ' 109' ' ' TYR . 2.5 tt -103.12 157.2 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 74.32 109.272 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.616 ' O ' HD13 ' A' ' 78' ' ' ILE . 57.1 m-85 -137.15 167.51 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 62.45 110.976 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.964 HG13 HG22 ' A' ' 61' ' ' VAL . 5.1 mm -123.77 133.89 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 73.34 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CE1' HD12 ' A' ' 84' ' ' LEU . 3.8 m-85 -120.97 151.55 39.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.01 111.016 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -145.01 122.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 43.15 109.284 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.43 38.5 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 75.44 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.57 38.23 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 65.03 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -133.16 -173.72 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 64.45 110.374 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.548 ' N ' HG23 ' A' ' 83' ' ' THR . 1.5 tt -141.9 93.08 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 74.04 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.92 40.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 72.05 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.89 30.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 70.43 110.993 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -80.12 -13.77 59.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 71.25 110.402 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.43 -28.8 24.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 64.31 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.534 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -44.33 138.26 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 63.43 109.25 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -88.13 137.75 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.24 109.262 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 mmm -67.57 -8.21 32.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.11 111.012 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -89.4 -40.51 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 75.3 109.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.79 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 62.31 109.274 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.747 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.1 mm -65.39 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.41 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.621 ' HB2' HD22 ' A' ' 105' ' ' LEU . 1.6 t80 -59.51 -23.45 62.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 73.55 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.91 -36.6 84.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 42.1 110.297 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.8 -0.68 16.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 71.4 110.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.747 ' CD2' HG23 ' A' ' 94' ' ' ILE . 86.4 m-70 -114.01 -7.06 13.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 73.54 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.83 140.4 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 64.14 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.428 ' HB2' ' CD1' ' A' ' 106' ' ' TYR . 5.0 t0 -96.92 179.81 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.52 109.279 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -73.24 -21.79 60.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 73.15 109.234 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.9 15.12 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 51.35 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.89 -55.25 3.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 75.35 110.959 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 18' ' ' SER . 2.0 m-85 -51.31 -175.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 60.33 111.025 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.648 ' HB3' HG13 ' A' ' 31' ' ' VAL . 7.7 tp -120.23 159.27 25.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 74.43 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -129.07 101.35 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 75.5 111.031 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.503 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -130.43 153.51 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 55.32 109.36 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.451 HG23 ' CB ' ' A' ' 34' ' ' GLU . 4.0 m -138.55 132.62 31.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 75.41 110.431 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.789 ' HD1' HD11 ' A' ' 76' ' ' ILE . 53.3 p90 -101.6 147.41 26.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 75.24 110.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.9 m -140.24 143.47 36.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 71.14 110.029 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.5 -7.87 48.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 54.44 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.825 ' HG3' HG23 ' A' ' 114' ' ' THR . 12.1 tp10 -105.97 165.58 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 51.01 110.286 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.572 ' ND2' ' CE2' ' A' ' 77' ' ' PHE . 34.6 t-20 -101.24 62.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 40.11 109.299 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.825 HG23 ' HG3' ' A' ' 112' ' ' GLU . 52.2 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 75.22 110.382 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.501 0.191 . . . . 64.15 110.959 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -121.35 -49.29 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 73.3 109.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -140.74 136.3 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 73.42 110.028 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.9 p -117.71 -4.59 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 75.44 110.408 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -69.19 -38.41 78.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 64.24 110.992 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.75 -35.9 20.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 64.22 109.248 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.2 t -77.13 -63.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 75.23 110.023 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 4' ' ' THR . 6.6 tt0 -60.76 -52.55 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 73.32 110.25 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.73 164.87 13.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 73.55 110.983 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 71.51 110.993 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 1.2 t80 -73.51 -31.23 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 62.1 111.007 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' ALA . 31.4 mt-10 -67.49 -51.62 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 64.12 110.287 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.709 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 31.9 mmtt -42.76 -53.8 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 64.02 109.28 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.519 HH21 HG21 ' A' ' 32' ' ' ILE . 12.3 ttt180 -53.22 -57.48 10.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 64.34 110.273 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -58.53 -21.4 52.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 72.25 109.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -71.48 -60.22 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 54.42 109.324 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -46.85 -25.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.43 110.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 t -81.42 -41.31 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 65.23 110.014 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -49.81 -34.91 21.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 72.04 110.297 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -79.2 -42.98 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.22 110.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.8 mt -63.38 -21.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 44.12 109.34 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 -41.23 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.41 109.295 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.72 -28.29 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 70.24 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.3 mmt180 -86.35 -52.17 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 72.42 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 2.3 m-85 -137.49 78.4 38.15 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 73.22 110.996 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 65.23 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.62 14.7 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 61.15 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.7 mpt_? -107.06 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 63.24 110.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' VAL . 12.4 mt -146.47 90.52 5.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 64.13 109.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -75.01 92.76 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 72.21 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 5.7 t -85.78 131.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.04 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.626 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -106.67 93.51 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 64.25 109.262 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' HG ' ' HD2' ' A' ' 109' ' ' TYR . 6.7 t -80.77 157.32 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 51.02 108.344 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.984 ' O ' HG23 ' A' ' 108' ' ' THR . 23.9 mt-10 -136.41 120.1 17.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 71.25 110.286 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CE ' HG12 ' A' ' 41' ' ' ILE . 2.9 tmtt? -40.49 141.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 72.54 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.972 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -99.01 110.16 22.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 70.03 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 13.3 pt-20 -55.78 -47.71 76.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.21 110.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 4.6 mmmt -40.56 -57.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 72.34 109.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 p -50.72 176.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 55.41 110.04 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -128.47 15.1 6.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 73.52 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.867 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -74.25 162.02 75.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 74.03 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.05 130.42 13.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 41.33 111.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.93 170.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 63.21 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.729 HG23 HG23 ' A' ' 68' ' ' ILE . 4.9 pt -110.2 -172.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 54.4 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -88.84 -49.72 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 55.05 109.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -149.29 164.67 34.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 73.04 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -112.45 101.96 10.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 75.14 110.258 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -158.74 131.88 7.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 75.33 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 64' ' ' ILE . 61.2 m-85 -147.62 106.76 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 73.22 111.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 30' ' ' PRO . 11.1 mt -103.47 93.48 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 65.03 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.457 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.87 156.18 42.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.33 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.07 15.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.507 1.793 . . . . 75.42 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.42 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 73.11 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -120.53 -2.67 9.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.53 109.306 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 59' ' ' GLN . 5.7 tt -92.58 156.57 17.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.02 109.362 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.627 HG22 ' CD1' ' A' ' 90' ' ' LEU . 11.9 p -113.2 164.86 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 54.42 110.352 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' VAL . 95.5 t -50.49 -41.49 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 74.51 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.444 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.81 -60.84 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 71.2 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.649 ' HB2' HD11 ' A' ' 55' ' ' LEU . 13.4 mt-30 -52.2 -53.1 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 73.25 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 37.4 t80 -47.17 -55.99 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 62.3 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.792 HG22 HG12 ' A' ' 78' ' ' ILE . 19.9 t -45.08 -31.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 64.41 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -80.56 -48.81 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 72.05 111.042 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 t -47.59 -53.56 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 72.23 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 49' ' ' TYR . 1.8 mp -55.18 -45.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 72.31 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' MET . 16.0 ttm180 -52.56 -20.51 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 72.51 110.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 11.0 mmmm -80.3 -47.56 14.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 62.22 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' HB3' HG21 ' A' ' 44' ' ' ILE . 5.7 mmp_? -57.06 -27.71 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.22 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 70' ' ' LEU . 1.3 pt -107.91 -12.77 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 52.44 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 13.7 ptp 40.56 51.55 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.24 110.977 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.91 HD12 HD12 ' A' ' 68' ' ' ILE . 8.9 mt -64.54 164.37 20.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 63.03 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.29 38.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 52.13 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.91 19.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 64.13 111.021 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -91.36 -18.02 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.35 110.264 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -90.22 176.33 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 71.25 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.06 111.82 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 50.12 109.286 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.603 HD12 ' CD1' ' A' ' 68' ' ' ILE . 7.7 tt -98.44 157.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 70.41 109.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 113' ' ' ASN . 47.2 m-85 -135.34 146.31 48.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 72.12 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.792 HG12 HG22 ' A' ' 61' ' ' VAL . 9.9 mm -96.42 148.83 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.43 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 1.102 ' CE2' HD12 ' A' ' 84' ' ' LEU . 41.4 m-85 -139.92 141.73 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 73.33 110.954 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.744 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -132.67 133.79 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 72.23 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.619 HD22 ' N ' ' A' ' 81' ' ' ASN . 1.3 m-80 50.69 43.84 27.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 74.52 109.276 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.7 40.93 19.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 71.4 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.744 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -135.24 -173.74 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.53 110.425 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.102 HD12 ' CE2' ' A' ' 79' ' ' PHE . 3.4 tt -141.24 93.51 8.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 55.33 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 158.82 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 65.45 111.018 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.789 . . . . 74.12 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.444 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -79.54 -21.39 45.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 61.35 110.373 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.79 -35.01 60.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 73.43 109.247 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.04 139.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 71.52 109.32 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.627 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.0 tp -90.63 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 73.15 109.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.6 mmm -63.72 -12.8 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.1 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -88.52 -41.08 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 72.02 109.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.49 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 62.53 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.896 HG23 ' CD2' ' A' ' 98' ' ' HIS . 18.3 mm -64.79 -61.28 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 64.12 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.1 t80 -55.85 -24.85 39.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.23 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.79 -40.09 94.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.41 110.334 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.8 -0.74 23.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 70.33 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.896 ' CD2' HG23 ' A' ' 94' ' ' ILE . 80.5 m-70 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 75.44 109.583 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -52.73 145.2 12.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 71.2 109.32 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.41 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 1.9 t70 -100.72 180.0 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 73.54 109.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.37 -17.34 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 74.53 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -89.67 -15.05 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 55.21 109.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.6 -55.89 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 53.04 111.037 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.626 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -51.84 177.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 74.42 110.951 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 105' ' ' LEU . 7.7 tp -116.94 157.57 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 71.25 109.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.595 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.79 101.12 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.35 111.026 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -126.49 163.94 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 55.43 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.984 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.1 m -147.42 136.5 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 42.51 110.422 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.867 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.2 p90 -109.8 149.73 29.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 61.4 110.984 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -146.46 140.25 26.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 75.12 109.971 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.01 -16.42 32.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 42.43 110.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -106.25 157.85 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 75.55 110.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 38.8 t-20 -96.44 60.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 74.52 109.278 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.3 p -137.44 150.32 47.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.42 110.405 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 9.8 m-85 -85.0 -3.55 58.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 64.22 111.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 63.52 110.972 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.519 0.199 . . . . 73.31 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -120.78 -171.2 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 64.14 109.289 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -66.28 149.76 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.53 109.966 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 6' ' ' LYS . 3.0 p -96.29 -13.66 23.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 62.03 110.374 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CE2' ' NH1' ' A' ' 14' ' ' ARG . 3.9 m-30 -37.79 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 75.45 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' THR . 14.4 mtmt -68.3 -56.55 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 71.45 109.32 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -81.66 -66.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 73.21 110.024 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -39.63 -54.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 74.3 110.312 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -106.61 159.41 29.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 55.43 110.997 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.78 42.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.794 . . . . 75.54 111.032 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -70.47 -25.99 63.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.52 111.003 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -75.94 -15.47 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 50.53 110.286 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.599 ' HA ' ' HZ3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -64.6 -64.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 34.43 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' NH1' ' CE2' ' A' ' 5' ' ' PHE . 17.3 mmm180 -55.9 -50.97 69.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 70.45 110.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -44.4 -44.37 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 73.03 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 18' ' ' SER . . . -64.89 -60.13 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.41 109.315 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.04 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 73.52 110.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' ALA . 28.3 t -82.74 -51.54 7.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 62.12 109.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -49.62 -27.09 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 70.44 110.302 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -81.87 -51.58 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.44 110.293 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 30' ' ' PRO . 31.9 mt -60.82 -19.16 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 63.22 109.323 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.95 -37.02 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 62.42 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.3 -28.17 66.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 71.13 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.554 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.12 -49.13 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 74.24 110.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.1 m-85 -131.88 80.48 65.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.02 110.999 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.18 19.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 62.01 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -100.59 28.1 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 63.21 109.308 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HB3' HD11 ' A' ' 50' ' ' LEU . 62.2 mmt-85 -125.25 -177.92 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 73.44 110.326 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 15.4 mt -147.99 91.22 4.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 64.33 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.0 90.45 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 51.21 111.008 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.631 HG22 ' CB ' ' A' ' 105' ' ' LEU . 2.6 t -88.88 146.78 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 55.4 109.334 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -112.36 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 71.31 109.311 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.588 ' SG ' ' CE2' ' A' ' 109' ' ' TYR . 24.2 t -95.45 148.96 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 65.33 108.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 108' ' ' THR . 5.3 mt-10 -137.25 152.73 50.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 62.21 110.325 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 3.6 tmtt? -77.87 135.34 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 65.2 109.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.47 124.99 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 33.24 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.1 pt-20 -63.23 -47.78 81.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 74.2 110.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 6.5 mmmt -47.23 -41.36 18.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 73.4 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 177.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 73.43 110.001 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.81 22.15 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.04 109.304 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -91.13 157.31 43.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 71.12 109.326 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 138.06 22.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 75.31 110.973 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.69 169.42 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 72.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.567 HG23 HG23 ' A' ' 68' ' ' ILE . 8.9 pt -112.01 179.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 71.04 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -63.14 -62.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 71.41 109.326 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -152.87 -175.84 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 74.33 109.316 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.701 ' O ' HD13 ' A' ' 32' ' ' ILE . 7.5 mtm-85 -110.4 101.91 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.2 110.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -158.76 104.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 64.12 109.262 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 76.3 m-85 -126.46 93.78 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 73.45 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 28' ' ' ARG . 2.5 tp -95.46 94.82 8.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.15 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -112.56 155.52 43.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 74.21 109.291 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.15 15.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 75.53 110.996 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.3 17.12 6.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 71.44 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -114.11 -11.64 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.13 109.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 59' ' ' GLN . 6.2 tt -85.78 156.56 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.14 109.347 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.474 HG22 HD12 ' A' ' 90' ' ' LEU . 12.0 p -113.69 167.22 10.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 73.42 110.386 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.7 -43.43 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 64.24 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -41.39 -62.7 1.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 72.25 110.956 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.596 ' HB2' HD11 ' A' ' 55' ' ' LEU . 5.2 mt-30 -45.42 -50.09 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 72.13 110.287 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.613 ' CE2' HD11 ' A' ' 64' ' ' ILE . 7.7 t80 -48.44 -48.01 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.15 110.977 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.806 HG22 HG13 ' A' ' 78' ' ' ILE . 20.0 t -51.87 -32.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 62.01 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.59 ' HD1' HH21 ' A' ' 65' ' ' ARG . 1.9 t80 -81.16 -50.46 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.22 110.982 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 t -46.87 -45.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 50.44 109.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' A' ' 60' ' ' PHE . 2.1 mp -64.78 -55.01 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 74.12 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.59 HH21 ' HD1' ' A' ' 62' ' ' TYR . 20.3 ttp180 -46.46 -24.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.53 110.313 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 64' ' ' ILE . 27.4 mmtp -79.63 -44.49 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 54.22 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.516 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.8 mmt-85 -62.6 -27.09 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 74.5 110.265 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.73 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.3 pt -107.83 -8.46 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 72.15 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' ARG . 12.4 ptp 39.61 54.13 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 74.13 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.6 mt -68.7 163.77 51.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 63.43 109.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 158.02 42.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 60.41 110.972 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.16 10.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 72.51 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -99.45 -17.2 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 72.15 110.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -91.69 176.94 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 74.14 109.258 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.22 110.36 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 72.11 109.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.57 HD12 ' CD1' ' A' ' 68' ' ' ILE . 10.5 tt -93.84 141.42 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 72.03 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 85.6 m-85 -109.46 165.87 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 72.34 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.806 HG13 HG22 ' A' ' 61' ' ' VAL . 3.9 mm -122.58 134.87 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 70.3 109.264 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.733 ' CE2' HD13 ' A' ' 84' ' ' LEU . 74.4 m-85 -130.81 131.93 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.21 110.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.634 ' O ' HG22 ' A' ' 83' ' ' THR . 1.5 p -135.23 140.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 63.3 109.267 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.46 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 2.0 m-80 49.54 32.93 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 73.21 109.326 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 64.23 36.87 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 70.24 109.327 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -137.32 -173.7 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 75.1 110.43 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.733 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -144.8 92.98 5.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 71.23 109.321 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.2 Cg_endo -75.0 169.11 23.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.759 . . . . 75.01 110.989 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.31 20.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 75.04 110.999 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.442 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 1.2 t -84.78 -19.94 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 62.43 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.38 42.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 62.45 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -43.86 139.75 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.35 109.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD12 HG22 ' A' ' 56' ' ' THR . 7.2 tp -89.67 134.46 34.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 74.43 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.77 -15.83 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 53.11 110.945 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.2 p -81.79 -46.4 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.12 110.032 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.15 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 35.41 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.828 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.2 mm -69.02 -61.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 72.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 95' ' ' TYR . 2.2 t80 -59.41 -16.85 25.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 64.33 111.032 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -72.67 -38.82 67.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.52 110.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.58 -0.64 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 72.14 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.828 ' CD2' HG23 ' A' ' 94' ' ' ILE . 70.0 m-70 -108.41 -24.24 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 70.4 109.556 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -40.32 140.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 70.03 109.326 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.33 -179.96 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 64.42 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -72.86 -16.19 61.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 72.5 109.289 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.541 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 26.5 t70 -87.28 -20.51 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 73.04 109.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.17 -70.57 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 71.21 111.026 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 30' ' ' PRO . 1.8 m-85 -47.17 175.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 75.32 111.006 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 98' ' ' HIS . 7.7 tp -109.34 159.82 16.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 65.41 109.252 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.56 101.81 5.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 73.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.554 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -126.01 156.13 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 75.14 109.287 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 34' ' ' GLU . 86.8 m -149.88 134.77 17.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.35 110.398 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.612 ' CD2' HG21 ' A' ' 64' ' ' ILE . 2.8 p90 -113.34 157.38 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.31 110.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.7 p -143.38 127.9 17.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.11 110.04 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -42.64 -27.13 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 54.24 111.012 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -106.41 162.46 13.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 54.24 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 11.5 t-20 -90.07 62.33 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 60.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.533 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 p -115.6 154.72 28.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 70.52 110.41 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -98.4 0.97 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 74.3 110.993 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 75.24 111.027 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtm . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.467 0.175 . . . . 74.35 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -111.24 -48.48 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 75.22 109.313 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.57 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 4.1 m -140.13 156.36 46.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 74.21 109.982 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.3 p -74.64 -21.69 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 63.01 110.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 3' ' ' SER . 0.7 OUTLIER -47.78 -27.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 54.32 111.002 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.505 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 pptp? -66.8 -40.0 87.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 74.5 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.406 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 19.8 t -102.44 -67.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 62.41 110.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -38.92 -35.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 74.51 110.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -121.84 92.31 48.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 73.32 111.058 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.99 19.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.554 1.818 . . . . 74.54 111.044 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -64.92 -72.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 75.02 110.987 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -38.98 -33.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 74.02 110.325 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -70.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 63.25 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 104' ' ' PHE . 5.4 ttm105 -41.09 -52.14 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.35 110.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -42.94 -55.1 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 74.35 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.48 -47.48 69.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 63.05 109.312 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -48.21 -47.17 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 65.01 110.265 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -67.13 -44.54 79.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 41.43 110.049 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.93 -27.18 17.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 71.04 110.301 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -79.65 -38.01 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 71.14 110.315 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.737 HG21 ' HG3' ' A' ' 30' ' ' PRO . 27.7 mt -76.51 -22.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 63.24 109.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.07 -25.29 37.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 74.43 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -94.06 -15.55 24.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 71.53 109.334 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.74 -64.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 73.21 110.304 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.8 m-85 -120.44 80.2 29.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 73.33 111.0 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.0 20.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 60.1 110.992 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -95.99 16.12 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 70.31 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -115.54 179.79 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 74.34 110.339 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' VAL . 13.9 mt -150.19 90.35 4.4 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.23 109.309 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.737 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 74.43 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 105' ' ' LEU . 3.9 t -91.72 130.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 72.11 109.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 3.5 mm -97.98 92.04 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 72.44 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.2 t -89.31 138.59 31.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.42 108.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 1.3 pt-20 -128.65 141.5 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.02 110.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 109' ' ' TYR . 2.4 tmtt? -76.66 143.1 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 74.32 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.18 134.12 34.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 74.32 109.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.72 -46.48 75.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 65.11 110.36 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.73 -28.17 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 71.23 109.289 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -176.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 51.12 109.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.34 15.95 4.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 63.34 109.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -84.36 154.52 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.23 109.306 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.61 13.4 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 54.23 110.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -63.38 170.89 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 64.43 110.286 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 67' ' ' ARG . 3.1 pt -110.74 -175.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 63.44 109.319 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.28 -53.39 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.54 109.301 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -141.77 158.46 43.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 73.52 109.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 34' ' ' GLU . 28.3 mtm105 -107.94 101.89 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 74.33 110.328 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -158.74 124.47 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 63.11 109.283 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 92.9 m-85 -135.0 97.19 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 74.41 110.985 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 9.8 mt -94.32 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 71.53 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.576 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -113.24 155.65 44.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 72.4 109.325 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.497 1.788 . . . . 75.14 110.993 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 17.28 6.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 71.13 109.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -115.65 -9.05 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.42 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD13 ' CG1' ' A' ' 51' ' ' VAL . 6.9 tt -83.65 156.84 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 53.42 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -110.21 160.33 16.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 61.25 110.45 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.8 t -50.09 -50.01 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 73.53 109.295 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -61.09 1.45 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 64.11 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -43.21 -44.65 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 73.15 110.322 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' A' ' 64' ' ' ILE . 4.5 t80 -55.32 -62.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.44 110.995 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.867 HG22 HG12 ' A' ' 78' ' ' ILE . 21.8 t -40.48 -32.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 72.41 109.299 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.84 -48.1 17.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 71.34 110.99 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' PHE . 2.6 t -45.88 -55.18 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 74.53 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.745 HD11 ' CE1' ' A' ' 60' ' ' PHE . 2.3 mp -51.2 -52.14 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 72.33 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' MET . 22.7 ttm180 -45.55 -25.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 63.13 110.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -81.68 -42.69 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 75.03 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.632 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.3 mpt_? -60.77 -23.73 65.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.33 110.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.988 HD12 HD22 ' A' ' 70' ' ' LEU . 1.6 pt -116.51 -5.86 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 73.22 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.6 ptp 41.17 49.44 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 71.32 111.028 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.988 HD22 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -68.55 158.82 84.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 75.5 109.342 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.38 22.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 70.33 111.055 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.37 8.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.453 1.764 . . . . 71.34 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.78 -38.2 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 70.12 110.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 3.6 mttt -61.22 177.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.24 109.295 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.64 119.21 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 44.32 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.675 HD11 HD12 ' A' ' 41' ' ' ILE . 2.2 tt -112.36 154.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.44 109.302 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' C ' HD13 ' A' ' 78' ' ' ILE . 58.2 m-85 -140.21 155.1 47.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.35 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.867 HG12 HG22 ' A' ' 61' ' ' VAL . 3.3 mm -110.41 146.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 64.44 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.9 m-85 -137.53 121.59 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 73.34 111.013 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.738 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -114.13 126.73 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 65.33 109.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 52.1 54.13 11.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 74.53 109.317 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t0 48.32 44.68 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 71.25 109.294 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.738 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -138.15 -173.63 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 72.32 110.38 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.618 ' N ' HG23 ' A' ' 83' ' ' THR . 0.5 OUTLIER -146.45 92.5 5.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 75.11 109.318 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.05 36.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 52.05 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.72 22.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 60.04 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.4 -22.64 41.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 71.04 110.405 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.64 -34.21 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 60.22 109.273 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -40.54 137.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 70.51 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 90' ' ' LEU . 7.0 tp -89.55 137.29 32.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 54.42 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.7 mmm -63.91 -11.18 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 73.14 110.961 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -89.95 -42.59 11.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 64.24 109.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.13 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 61.11 109.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.864 HG23 ' CD2' ' A' ' 98' ' ' HIS . 16.2 mm -67.21 -61.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.3 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.8 t80 -56.57 -23.62 41.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 64.42 110.999 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.81 -41.0 92.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 64.15 110.255 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -105.32 -0.78 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 71.2 110.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.864 ' CD2' HG23 ' A' ' 94' ' ' ILE . 80.5 m-70 -112.03 -10.92 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 61.43 109.562 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.78 144.29 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 71.3 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.411 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 4.2 t70 -104.84 179.89 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 73.11 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -73.97 -15.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 72.14 109.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.84 12.51 31.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.33 109.305 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.6 -57.2 2.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 53.42 110.989 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 14' ' ' ARG . 3.7 m-85 -48.03 175.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 63.14 110.974 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.501 ' HB3' HG22 ' A' ' 31' ' ' VAL . 10.2 tp -123.08 122.43 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 72.1 109.299 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.39 118.88 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.54 111.018 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.508 HG13 ' HA ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -142.54 163.33 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 74.12 109.315 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.489 ' N ' ' CG2' ' A' ' 107' ' ' VAL . 6.6 m -141.85 134.39 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 63.24 110.378 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.441 ' CD2' HG21 ' A' ' 64' ' ' ILE . 22.6 p90 -124.63 152.23 43.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 74.22 111.026 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -147.74 169.95 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.03 109.997 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.11 10.25 61.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 61.51 111.021 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -131.93 157.2 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 74.42 110.312 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -95.93 65.07 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 71.22 109.341 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.578 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 6.9 p -142.45 165.51 27.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 61.44 110.366 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -99.68 -5.94 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 73.2 110.984 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 41.41 110.991 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mmm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.488 0.185 . . . . 72.15 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -75.05 -67.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 70.11 109.316 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -86.89 150.7 23.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 75.31 109.984 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.4 p -123.4 -0.59 8.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.25 110.409 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.533 ' CZ ' ' HD2' ' A' ' 47' ' ' ARG . 7.4 m-85 -63.85 -41.75 97.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 75.3 111.01 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.63 -34.66 19.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 72.4 109.323 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.3 t -74.33 -67.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 55.13 110.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' THR . 17.7 tp10 -56.66 -49.25 75.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 73.23 110.307 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -111.79 156.89 40.91 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 75.23 111.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.05 19.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 62.23 110.977 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -78.99 -20.71 48.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 53.22 111.029 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -75.03 -50.35 16.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 74.34 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 8.9 tptm -50.35 -61.51 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 73.03 109.249 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.494 ' HD2' ' CD1' ' A' ' 5' ' ' PHE . 10.7 mmp_? -43.32 -53.92 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 75.32 110.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -56.12 -38.28 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 74.43 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -53.04 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 52.11 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.66 -46.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 62.23 110.272 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -62.7 -45.39 92.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 61.45 110.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.9 mm-40 -50.73 -27.37 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 54.54 110.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 12.0 mtp-105 -79.91 -56.3 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 71.42 110.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.591 HG21 ' HG3' ' A' ' 30' ' ' PRO . 9.3 mt -59.72 -19.25 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.4 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.44 -32.05 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.34 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -86.56 -15.1 40.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 65.04 109.286 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -100.32 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 55.12 110.341 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 3.3 m-85 -127.44 77.68 75.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 62.52 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 73.14 111.019 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.37 13.29 27.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.22 109.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -109.99 -177.97 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 74.23 110.288 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.561 HD11 ' HA ' ' A' ' 53' ' ' ALA . 4.1 mt -145.17 92.24 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 54.53 109.337 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.1 Cg_endo -74.98 88.8 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 64.33 110.978 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.811 HG22 ' CB ' ' A' ' 105' ' ' LEU . 3.1 t -85.79 149.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 65.3 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.58 HG23 ' HD3' ' A' ' 47' ' ' ARG . 6.7 mm -122.78 92.07 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 74.03 109.313 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.58 ' SG ' ' CD2' ' A' ' 109' ' ' TYR . 23.3 t -88.54 150.43 23.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 53.14 108.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.971 ' O ' HG23 ' A' ' 108' ' ' THR . 7.2 mt-10 -136.18 140.73 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 74.12 110.318 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 1.1 tmtt? -74.11 134.76 42.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 72.33 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -70.08 116.0 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 61.11 109.312 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -54.87 -46.49 74.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 75.35 110.253 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -56.2 -29.82 61.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 74.45 109.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.592 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -58.18 179.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 74.12 110.031 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -129.08 22.14 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 62.04 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -92.64 154.75 42.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 75.24 109.326 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.6 Cg_endo -74.94 126.5 10.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.505 1.792 . . . . 74.42 110.992 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.38 170.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 71.44 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.794 HG23 HG23 ' A' ' 68' ' ' ILE . 7.5 pt -114.45 170.86 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.21 109.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.91 -61.53 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.41 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -174.95 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 73.54 109.334 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.58 ' HD3' HG23 ' A' ' 32' ' ' ILE . 1.8 ptp85 -110.66 101.88 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 75.14 110.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -158.86 107.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 71.44 109.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 96.7 m-85 -127.77 93.75 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 61.42 111.017 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -93.61 92.31 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.701 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.98 154.61 44.13 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.23 109.35 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.26 14.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 64.52 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -89.67 18.88 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 62.05 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.55 -0.41 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.15 109.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.701 HD13 HG12 ' A' ' 51' ' ' VAL . 5.9 tt -90.66 156.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.41 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.502 HG22 ' CD1' ' A' ' 90' ' ' LEU . 12.2 p -110.42 161.67 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 52.3 110.405 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 61' ' ' VAL . 87.7 t -50.36 -44.93 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 73.05 109.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -61.45 1.38 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 64.34 111.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.467 ' CB ' HD11 ' A' ' 55' ' ' LEU . 41.0 mt-30 -47.21 -41.68 18.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 73.15 110.317 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.503 ' CE2' HD11 ' A' ' 64' ' ' ILE . 9.5 t80 -59.79 -35.95 75.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 64.13 110.957 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.786 HG12 HH21 ' A' ' 65' ' ' ARG . 4.7 t -70.13 -16.37 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 74.31 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -85.71 -63.27 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 74.33 111.011 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.65 HG23 HD12 ' A' ' 64' ' ' ILE . 6.2 m -44.82 -47.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 53.03 109.304 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.65 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -57.44 -64.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 74.22 109.29 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.786 HH21 HG12 ' A' ' 61' ' ' VAL . 16.3 ttm180 -44.84 -27.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.43 110.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -80.28 -43.68 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.41 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.499 ' HB3' HG21 ' A' ' 44' ' ' ILE . 9.3 mmt-85 -60.39 -26.72 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 61.43 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.794 HG23 HG23 ' A' ' 44' ' ' ILE . 1.4 pt -107.56 -8.99 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.31 109.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 7.5 ptp 40.7 51.15 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 62.44 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.722 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.3 mt -64.63 164.11 22.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.24 109.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.84 42.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 73.01 110.976 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 73.25 111.003 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -100.96 -15.01 17.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 75.31 110.354 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -94.5 179.1 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.51 109.275 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.09 112.56 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 74.32 109.275 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.659 HD12 ' CD1' ' A' ' 68' ' ' ILE . 5.3 tt -97.54 134.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 64.32 109.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 95.3 m-85 -111.82 157.77 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 73.13 110.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.602 HG13 HG22 ' A' ' 61' ' ' VAL . 2.9 mm -113.33 142.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 73.41 109.262 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 84' ' ' LEU . 1.9 m-85 -137.5 127.32 25.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 72.11 111.029 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.715 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -120.13 134.53 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.32 109.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 46.18 54.48 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.1 109.269 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 t70 48.85 46.54 21.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 64.11 109.299 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -140.59 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.23 110.39 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.638 HD12 ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -145.94 91.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 74.23 109.271 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.91 43.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.81 . . . . 71.02 110.992 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -75.0 162.53 36.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 72.02 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -74.15 -20.36 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 73.3 110.379 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.78 -29.34 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 42.05 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.481 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -45.7 137.99 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 54.23 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.502 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.2 tp -88.45 133.22 34.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 73.11 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 76.0 mmm -60.23 -14.21 16.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 72.21 110.953 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.7 p -82.0 -42.78 18.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 34.15 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.05 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.41 109.252 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.763 HG23 ' CD2' ' A' ' 98' ' ' HIS . 41.7 mm -60.31 -61.25 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 71.12 109.354 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.834 ' CD2' HD23 ' A' ' 105' ' ' LEU . 1.2 t80 -55.24 -29.61 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 72.3 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 72.24 110.357 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -110.88 -6.16 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 75.22 110.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.763 ' CD2' HG23 ' A' ' 94' ' ' ILE . 97.0 m-70 -115.58 13.91 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 70.31 109.595 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -74.62 139.87 43.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 74.43 109.322 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -99.2 179.61 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.34 109.291 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -63.27 -61.86 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 74.31 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.88 -22.82 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 73.23 109.284 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.5 -20.3 37.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 32.51 111.016 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 32' ' ' ILE . 1.5 m-85 -58.61 170.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 64.3 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.834 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -114.42 134.98 54.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 64.12 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -106.67 105.33 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 73.32 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.482 HG11 ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.65 155.15 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 44.53 109.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.971 HG23 ' O ' ' A' ' 34' ' ' GLU . 56.7 m -155.86 135.64 12.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 73.24 110.413 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.58 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 1.8 p90 -110.12 -176.51 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 70.11 110.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.4 p -170.63 134.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 62.44 110.014 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.79 -20.65 6.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 63.1 110.961 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 113' ' ' ASN . 19.6 tp10 -106.94 160.11 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 74.33 110.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.485 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 24.1 t-20 -88.5 60.61 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 73.41 109.275 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.513 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.7 p -130.98 155.31 47.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 73.43 110.361 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -89.7 2.83 54.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 74.45 110.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 42.45 110.978 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 2.4 mmt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.475 0.179 . . . . 75.14 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -109.44 -177.67 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 71.33 109.31 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 m -73.9 149.8 41.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 61.34 109.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.5 p -94.83 -20.68 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 72.13 110.437 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -44.16 -27.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 71.13 110.967 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -64.61 -45.98 84.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 71.03 109.266 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 4' ' ' THR . 2.3 t -100.48 -63.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 63.12 109.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.9 OUTLIER -38.97 -34.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 62.22 110.237 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -126.19 93.46 43.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 63.14 111.019 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.27 18.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 64.21 110.968 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CG ' ' OD1' ' A' ' 102' ' ' ASP . 16.1 t80 -52.19 -58.94 5.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 73.22 111.003 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -42.89 -55.37 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 72.22 110.346 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -55.29 -60.83 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 73.1 109.304 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 -40.3 -43.55 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 71.44 110.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -59.41 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 70.44 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.41 -53.8 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 64.45 109.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.98 -64.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.5 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -53.69 -32.94 53.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 51.25 109.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.69 -26.76 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 72.34 110.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.8 -56.85 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 71.3 110.286 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 15.2 mt -56.04 -21.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.1 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 26' ' ' PRO . . . -84.68 -40.18 17.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 72.42 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 75.02 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.91 -47.95 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 72.43 110.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 5.7 m-85 -126.33 71.64 71.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.44 110.96 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' CB ' ' O ' ' A' ' 22' ' ' ALA . 18.3 Cg_endo -75.0 -2.47 12.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 70.35 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.78 13.26 35.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 71.52 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.9 mmm-85 -113.97 -177.75 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.14 110.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.52 HG23 ' CD2' ' A' ' 95' ' ' TYR . 7.8 mt -144.62 90.83 6.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 73.5 109.264 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.99 92.65 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.787 . . . . 73.23 111.004 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 60' ' ' PHE . 3.6 t -85.66 135.53 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 71.32 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.478 ' O ' HG22 ' A' ' 32' ' ' ILE . 12.3 mm -113.91 92.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 73.51 109.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.67 155.41 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 63.51 108.246 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.042 ' O ' HG23 ' A' ' 108' ' ' THR . 6.6 mm-40 -131.17 120.5 23.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 73.02 110.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' CD ' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -40.47 137.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 64.24 109.299 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.986 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -103.61 108.97 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 62.13 109.339 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -42.71 -47.06 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 71.32 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -43.51 -44.52 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.41 109.308 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.54 ' OG ' HG23 ' A' ' 41' ' ' ILE . 48.4 t -48.81 169.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.5 109.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -126.93 4.71 6.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 70.23 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.793 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -78.6 163.0 63.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 64.41 109.26 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.25 25.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 71.14 111.02 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.95 164.59 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 51.2 110.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.718 ' CG2' HG23 ' A' ' 68' ' ' ILE . 22.7 pt -111.18 -172.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 73.14 109.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.465 ' CB ' ' HD3' ' A' ' 46' ' ' LYS . 1.3 m-20 -85.32 -52.38 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 74.31 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.64 173.73 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 74.21 109.303 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.46 102.37 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 64.02 110.321 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -150.26 110.97 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 70.31 109.279 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.497 ' CE1' HG13 ' A' ' 64' ' ' ILE . 49.7 m-85 -132.56 93.83 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 74.23 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.1 tp -98.38 95.02 7.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 74.43 109.287 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.638 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.36 153.54 44.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.4 109.304 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.35 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 53.34 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -89.45 18.78 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 73.11 109.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -120.15 -3.07 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.51 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD13 ' CG1' ' A' ' 51' ' ' VAL . 3.9 tt -88.62 155.54 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 75.54 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -104.32 160.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 65.44 110.444 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.545 HG22 ' SD ' ' A' ' 91' ' ' MET . 55.0 t -52.41 -51.1 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 64.41 109.27 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.96 -52.23 2.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 54.02 111.023 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' HB2' HD11 ' A' ' 55' ' ' LEU . 14.5 mt-30 -50.67 -53.24 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 75.35 110.304 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.554 ' CE2' HG11 ' A' ' 31' ' ' VAL . 28.0 t80 -45.69 -58.49 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 71.53 111.028 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.764 HG22 HG12 ' A' ' 78' ' ' ILE . 39.3 t -43.76 -31.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.14 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 2.2 t80 -79.1 -43.72 23.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.32 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -49.19 -54.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 51.34 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.512 HD11 ' CE1' ' A' ' 60' ' ' PHE . 1.8 mp -53.51 -48.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 73.33 109.321 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' MET . 9.8 ttp180 -48.51 -23.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 75.55 110.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -77.57 -43.26 32.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 72.44 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -61.96 -29.31 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 71.44 110.292 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.954 HD12 HD22 ' A' ' 70' ' ' LEU . 1.6 pt -107.79 -3.19 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 65.01 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.1 ptp 40.46 49.15 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 71.22 111.017 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -69.64 156.12 92.26 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.54 109.299 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.55 1.816 . . . . 72.13 111.024 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.1 9.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 72.12 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -95.79 -36.53 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 73.52 110.299 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.83 174.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 64.21 109.317 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.24 107.4 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 55.11 109.333 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.754 HD13 HD11 ' A' ' 68' ' ' ILE . 1.3 tt -96.6 156.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 62.14 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -137.33 136.11 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 75.05 110.936 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.764 HG12 HG22 ' A' ' 61' ' ' VAL . 4.9 mm -99.65 141.57 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 74.3 109.245 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 89.6 m-85 -127.24 111.46 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 71.31 110.979 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.734 ' O ' HG22 ' A' ' 83' ' ' THR . 30.1 t -94.81 121.45 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.54 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 41.4 50.44 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 65.1 109.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.99 43.33 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 65.45 109.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -142.0 154.98 45.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 72.45 110.437 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -126.33 92.64 44.99 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 73.4 109.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 171.36 18.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 71.43 111.048 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.97 158.89 42.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 64.22 111.013 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -74.14 -11.67 60.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 60.5 110.411 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.64 19.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 65.02 109.334 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -46.24 138.27 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.23 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.6 tp -89.28 133.48 34.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 71.34 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.545 ' SD ' HG22 ' A' ' 57' ' ' VAL . 82.8 mmm -62.59 -12.09 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 71.24 110.974 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.569 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 52.5 p -82.23 -43.69 17.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 64.4 110.018 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.72 42.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 72.04 109.284 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.791 HG23 ' CD2' ' A' ' 98' ' ' HIS . 17.4 mm -67.91 -61.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 73.34 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.52 ' CD2' HG23 ' A' ' 29' ' ' ILE . 4.4 t80 -57.64 -23.69 52.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 73.43 111.035 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.11 -40.14 94.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.35 110.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.27 -0.71 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 71.22 110.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.791 ' CD2' HG23 ' A' ' 94' ' ' ILE . 81.3 m-70 -112.81 -7.89 13.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.44 109.587 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -53.6 135.82 39.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 61.5 109.318 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.464 ' CG ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -80.31 -179.99 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 64.44 109.347 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -82.05 -3.29 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.22 109.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.496 ' OD1' ' CG ' ' A' ' 11' ' ' PHE . 3.8 t0 -110.24 6.31 22.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 64.42 109.323 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.57 -64.4 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 41.24 111.018 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -45.95 172.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 75.53 111.003 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.516 HD22 ' HD2' ' A' ' 95' ' ' TYR . 8.7 tp -115.61 125.28 52.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.11 109.279 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.464 ' CD1' ' CG ' ' A' ' 100' ' ' ASP . 7.5 m-85 -94.3 113.8 25.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 43.42 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 78' ' ' ILE . 1.5 p -143.87 164.55 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 64.25 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 1.042 HG23 ' O ' ' A' ' 34' ' ' GLU . 85.9 m -141.01 133.29 28.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 65.04 110.434 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.793 ' HE1' HD11 ' A' ' 41' ' ' ILE . 4.2 p90 -109.64 144.03 38.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 63.44 110.955 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 39' ' ' SER . 79.9 p -147.03 143.86 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 71.22 110.021 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.423 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -66.17 -16.83 65.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 51.1 111.008 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.448 ' HG3' HG23 ' A' ' 114' ' ' THR . 15.2 tp10 -108.53 160.27 16.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 73.23 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 112' ' ' GLU . 13.2 t-20 -90.34 64.8 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 73.23 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.573 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.9 p -108.31 130.08 55.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 74.15 110.344 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -101.71 -1.46 32.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 74.23 111.016 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 52.01 110.982 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.474 0.178 . . . . 73.21 111.035 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -52.25 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.12 109.312 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 p -95.52 90.48 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 74.12 110.044 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.0 p -63.17 -29.61 70.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 73.23 110.401 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.56 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 74.21 110.989 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' THR . 1.2 tmtm? -71.8 -54.3 10.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.54 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' THR . 3.1 m -81.66 -64.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 70.12 109.982 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 4' ' ' THR . 5.6 tt0 -37.96 -52.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 61.44 110.315 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' LYS . 7.5 m-85 -121.14 159.54 49.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 72.34 111.009 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.28 18.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 62.44 110.997 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.34 -44.38 52.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 75.25 111.012 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.28 -19.22 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 74.4 110.268 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -60.28 -67.3 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 44.3 109.253 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CD ' ' OH ' ' A' ' 106' ' ' TYR . 4.7 ptp85 -50.36 -28.74 8.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.22 110.266 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 71.14 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -71.53 -58.53 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.15 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -39.02 -56.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.21 110.328 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.432 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 52.3 p -50.32 -42.73 53.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.31 109.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ALA . 5.0 mm-40 -63.0 -26.75 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 35.51 110.252 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -78.97 -53.59 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 51.45 110.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 23.6 mt -56.86 -18.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 63.02 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.19 -39.99 18.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 64.15 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.25 -34.77 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 51.3 109.261 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.47 -51.41 5.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 74.23 110.266 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 4.3 m-85 -125.83 71.95 68.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 72.14 111.018 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.5 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.9 -5.32 16.66 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 72.35 111.02 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -93.94 -5.52 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 74.1 109.281 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.1 mpt_? -96.49 -177.85 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 64.51 110.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.4 mt -146.02 91.64 5.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 44.14 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HG3' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 101.64 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 74.25 111.026 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.805 HG22 ' CB ' ' A' ' 105' ' ' LEU . 14.0 t -104.0 139.33 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 60.54 109.322 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -103.02 92.58 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.44 109.323 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.4 t -81.29 126.19 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.01 108.328 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.918 ' O ' HG23 ' A' ' 108' ' ' THR . 26.6 mt-10 -118.89 118.81 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 54.03 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.489 ' CG ' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -63.34 150.45 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 73.04 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.75 115.66 28.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 60.12 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -49.82 -50.14 46.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 63.12 110.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -41.81 -32.33 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 51.33 109.273 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.519 ' OG ' HG23 ' A' ' 41' ' ' ILE . 6.6 t -59.41 -179.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 54.42 109.984 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -125.89 4.88 7.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 73.14 109.258 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.569 HD12 HD11 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -76.88 154.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 64.34 109.282 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 121.83 6.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 72.45 111.044 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -57.29 170.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.03 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.678 HG21 ' HB3' ' A' ' 67' ' ' ARG . 4.1 pt -109.21 170.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 70.23 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.92 -56.55 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.05 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -138.37 158.16 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 72.54 109.319 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.2 101.69 11.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 74.33 110.344 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -158.8 123.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 73.44 109.335 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 37.4 m-85 -136.5 104.59 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.14 111.018 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.6 tp -99.71 95.6 7.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 65.4 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.614 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.56 153.7 43.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 74.34 109.299 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.51 14.38 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.476 1.777 . . . . 75.53 111.05 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.84 18.47 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 54.2 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.36 -1.8 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 74.24 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 59' ' ' GLN . 6.4 tt -94.48 156.15 16.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 62.53 109.251 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.714 HG22 ' CD1' ' A' ' 90' ' ' LEU . 14.7 p -115.27 167.91 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 71.23 110.394 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.14 -43.68 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.23 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.473 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -39.12 -61.1 1.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 62.21 111.022 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.615 ' HB2' HD11 ' A' ' 55' ' ' LEU . 10.5 mt-30 -52.13 -44.28 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 70.11 110.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.85 -48.97 59.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.31 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.512 HG22 ' CG1' ' A' ' 78' ' ' ILE . 21.2 t -60.18 -21.93 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 44.34 109.266 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -82.71 -35.56 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 72.31 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 5.6 t -60.69 -57.9 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 63.42 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.677 HG22 HD11 ' A' ' 68' ' ' ILE . 2.9 mp -49.84 -55.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 61.32 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.5 ttp85 -42.01 -32.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 73.31 110.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -81.17 -43.47 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 73.3 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -60.24 -26.27 66.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.2 110.266 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.153 HD12 HD22 ' A' ' 70' ' ' LEU . 1.1 pt -113.79 -4.63 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 65.03 109.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.8 ptp 40.69 51.56 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 63.12 110.968 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.153 HD22 HD12 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -75.92 154.15 84.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 71.5 109.268 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.85 21.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 74.13 110.968 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.02 9.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 62.34 111.03 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -95.62 -30.2 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 74.02 110.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 168.25 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 75.45 109.351 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.71 107.27 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 73.22 109.314 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.607 HD13 HD11 ' A' ' 68' ' ' ILE . 3.4 tt -109.99 149.16 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 55.22 109.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -142.66 141.98 31.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 75.14 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.512 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.0 mm -97.64 156.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 62.15 109.277 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 1.064 ' CE2' HD12 ' A' ' 84' ' ' LEU . 43.5 m-85 -145.27 146.86 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.02 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.746 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -137.25 129.62 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 71.05 109.284 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 54.82 40.65 32.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 52.11 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 63.17 39.09 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.41 109.248 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -133.85 -173.73 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 74.13 110.372 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.064 HD12 ' CE2' ' A' ' 79' ' ' PHE . 2.5 tt -140.53 95.47 8.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 73.2 109.34 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.449 ' HG3' HG13 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.99 158.64 42.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 64.22 110.98 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.41 14.56 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 71.01 111.014 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.473 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -84.68 -19.46 32.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 71.45 110.423 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.95 -34.12 44.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 51.52 109.274 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.75 139.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 73.31 109.274 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.714 ' CD1' HG22 ' A' ' 56' ' ' THR . 7.4 tp -91.84 138.62 31.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 71.41 109.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.8 mmm -64.27 -12.6 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 74.04 110.978 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -89.0 -42.54 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.22 110.011 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.47 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 61.22 109.241 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.836 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.7 mm -66.82 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 71.21 109.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.645 ' HB2' HD22 ' A' ' 105' ' ' LEU . 2.4 t80 -56.5 -25.6 51.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 70.31 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.84 -41.29 99.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 62.32 110.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -106.21 -0.72 24.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 70.55 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.836 ' CD2' HG23 ' A' ' 94' ' ' ILE . 86.0 m-70 -113.69 -1.42 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 61.14 109.599 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.85 137.89 58.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 74.14 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.32 -179.98 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 74.51 109.301 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.6 -31.39 71.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 74.41 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -27.09 58.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.22 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.6 -48.77 0.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 71.44 110.989 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.625 ' CD1' HD13 ' A' ' 32' ' ' ILE . 3.6 m-85 -50.7 177.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 71.51 111.021 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.805 ' CB ' HG22 ' A' ' 31' ' ' VAL . 8.2 tp -120.98 125.84 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 73.24 109.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.407 ' OH ' ' CD ' ' A' ' 14' ' ' ARG . 25.0 m-85 -98.8 99.63 10.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 73.42 111.015 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -122.88 163.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 60.13 109.29 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 34' ' ' GLU . 45.1 m -150.08 142.13 23.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 74.42 110.372 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 35' ' ' LYS . 13.9 p90 -129.97 170.87 13.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 73.23 111.002 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.4 t -164.37 170.27 16.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 71.25 110.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -78.63 3.0 65.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 72.4 110.998 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -122.36 156.57 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 75.1 110.288 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -91.54 46.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 74.12 109.304 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.577 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 3.0 p -121.12 154.79 35.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 71.03 110.424 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 83' ' ' THR . 53.4 m-85 -82.58 4.63 23.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 75.54 110.979 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 75.54 111.04 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.5 0.19 . . . . 55.12 111.037 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -111.66 -175.8 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.12 109.306 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -79.75 116.62 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 73.34 109.995 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.4 p -58.79 -31.37 68.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 65.31 110.406 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -52.61 -22.9 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 71.24 110.955 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -67.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 73.35 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 t -89.2 -51.77 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 64.02 110.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 4' ' ' THR . 5.6 tm-20 -40.06 -43.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 74.14 110.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -122.39 155.91 61.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 65.32 110.988 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 170.76 19.71 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.452 1.764 . . . . 73.04 110.946 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 102' ' ' ASP . 4.4 t80 -84.49 -34.58 23.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 73.03 110.96 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.24 -19.5 65.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 65.53 110.291 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -63.71 -65.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 73.12 109.292 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -49.95 -31.14 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 74.32 110.288 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -77.46 -29.61 52.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 74.54 109.322 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -76.72 -62.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 71.32 109.316 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -39.83 -41.43 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 73.03 110.348 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ILE . 2.8 p -59.87 -49.49 77.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.43 109.985 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.5 mm-40 -45.74 -34.02 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 72.5 110.253 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -78.61 -35.82 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 70.53 110.251 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' SER . 19.3 mt -71.14 -19.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 75.34 109.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 -35.31 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.42 109.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -71.0 -43.4 68.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 63.41 109.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 25' ' ' PHE . 13.6 tpt180 -78.05 -55.14 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 71.53 110.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.617 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -118.49 78.95 15.22 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 71.31 111.002 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.435 1.755 . . . . 62.32 110.98 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -126.51 46.86 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.11 109.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 28.6 mmt-85 -132.38 175.9 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 73.01 110.251 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.568 HD11 ' HA ' ' A' ' 53' ' ' ALA . 2.3 mt -142.13 90.61 8.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 74.53 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HB3' HD21 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.03 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 51.31 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 2.6 t -85.78 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 72.01 109.3 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.619 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.8 mm -114.38 91.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 51.52 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.735 ' HB2' HG13 ' A' ' 107' ' ' VAL . 49.7 t -95.1 157.17 16.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 72.13 108.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.925 ' O ' HG23 ' A' ' 108' ' ' THR . 82.2 mt-10 -141.82 119.11 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 54.52 110.288 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.62 ' HG2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -48.32 143.31 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 73.33 109.3 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -76.34 127.49 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.23 109.279 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.23 -27.37 67.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 71.04 110.312 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -73.66 -30.11 62.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 75.32 109.244 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 1.3 t -55.04 174.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 75.44 110.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.95 15.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 73.31 109.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' HG2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -89.59 155.47 48.3 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 74.44 109.329 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.27 25.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 65.25 111.054 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -60.62 160.42 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 71.11 110.298 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.697 ' CG2' HG23 ' A' ' 68' ' ' ILE . 9.3 pt -98.4 -174.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 64.41 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -54.24 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 75.21 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.623 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -149.76 -177.56 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 71.55 109.316 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.44 101.68 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 75.5 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 13.0 ttpt -158.99 115.25 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 74.45 109.28 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 98.4 m-85 -128.84 93.75 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 72.34 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 30' ' ' PRO . 11.6 mt -98.41 92.79 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 54.41 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.574 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.38 154.34 43.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 65.13 109.29 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.16 14.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.748 . . . . 62.11 111.002 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -89.91 19.12 5.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 62.24 109.257 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -120.83 -2.25 9.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 62.44 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD13 HG12 ' A' ' 51' ' ' VAL . 6.9 tt -89.18 156.7 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.4 109.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.472 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 14.0 p -111.71 162.76 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 74.54 110.419 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.62 -46.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 74.23 109.253 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.02 -63.19 1.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 61.42 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -43.85 -52.31 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 64.01 110.287 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 13.6 t80 -44.69 -60.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 65.34 110.997 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.838 HG22 HG12 ' A' ' 78' ' ' ILE . 62.1 t -40.56 -33.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 53.13 109.285 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -82.47 -42.98 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.13 111.021 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.8 t -48.69 -44.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 71.21 109.277 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 64' ' ' ILE . 1.8 mp -65.21 -52.38 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 71.52 109.29 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 3.2 tmm_? -46.47 -24.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 73.33 110.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -79.02 -44.17 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 71.21 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HB3' HG21 ' A' ' 44' ' ' ILE . 4.6 mmp_? -58.41 -29.77 66.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 62.32 110.313 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.937 HD12 HD22 ' A' ' 70' ' ' LEU . 3.1 pt -107.57 -9.6 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 73.25 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 18.3 ptp 40.99 49.33 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 74.21 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.937 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -65.64 164.25 27.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 72.53 109.342 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.72 26.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 75.14 111.007 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 70.35 110.996 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.52 -39.37 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.41 110.314 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 16.5 mttp -62.64 176.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.4 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.62 106.43 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 42.53 109.268 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.582 HD12 ' CD1' ' A' ' 68' ' ' ILE . 5.9 tt -102.58 148.99 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 73.12 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.54 151.16 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 62.44 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.838 HG12 HG22 ' A' ' 61' ' ' VAL . 2.8 mm -107.81 139.76 28.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 74.13 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.654 ' CE2' HD13 ' A' ' 84' ' ' LEU . 2.9 m-85 -132.03 124.81 30.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.53 111.065 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.651 ' O ' HG22 ' A' ' 83' ' ' THR . 1.4 p -106.26 131.94 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 65.41 109.266 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.508 HD22 ' N ' ' A' ' 81' ' ' ASN . 1.8 m-80 45.6 62.61 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 62.2 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 42.34 44.86 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 71.1 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.7 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -144.63 -173.68 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.01 110.396 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.7 ' N ' HG23 ' A' ' 83' ' ' THR . 1.1 tp -148.32 97.66 3.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 43.32 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.25 111.012 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.97 163.46 35.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 61.23 110.981 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 t -79.72 -5.92 56.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 63.42 110.362 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.74 -31.33 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 55.04 109.289 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -41.52 139.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.33 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.4 tp -89.41 132.46 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 70.33 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -61.58 -15.72 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 72.13 110.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.514 ' HA ' HD13 ' A' ' 29' ' ' ILE . 78.4 p -85.37 -39.72 17.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 54.24 110.035 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.76 62.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 74.41 109.286 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.562 HG23 ' CD2' ' A' ' 98' ' ' HIS . 16.9 mm -68.77 -61.37 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 73.34 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.2 t80 -55.95 -23.72 33.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 71.14 111.037 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.09 -41.46 90.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 64.41 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -103.53 -4.08 24.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.4 110.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.562 ' CD2' HG23 ' A' ' 94' ' ' ILE . 50.2 m-70 -108.21 -11.81 15.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 62.3 109.622 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -47.94 143.44 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.31 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.71 179.97 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.32 109.266 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -74.64 -28.12 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 65.3 109.328 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -78.52 -28.37 46.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 60.22 109.288 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.67 -63.65 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 74.14 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.619 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.8 m-85 -48.25 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 73.41 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.454 HD22 ' HB2' ' A' ' 95' ' ' TYR . 9.5 tp -115.22 163.03 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 64.32 109.265 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -127.7 114.65 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 71.24 111.001 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.735 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -139.25 158.98 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 64.31 109.315 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.925 HG23 ' O ' ' A' ' 34' ' ' GLU . 24.2 m -148.65 135.79 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.32 110.37 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.575 ' CD2' ' SG ' ' A' ' 33' ' ' CYS . 3.8 p90 -124.74 168.92 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 74.01 111.053 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.0 p -156.91 160.24 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 70.13 110.003 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.13 -8.1 47.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 72.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -116.1 156.47 26.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.786 . . . . 71.4 110.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -89.25 45.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 70.24 109.304 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p -122.4 174.61 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.32 110.423 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -105.73 2.07 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 75.31 110.984 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.122 . . . . 65.14 110.963 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.514 0.197 . . . . 72.3 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.478 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 1.1 mptp? -72.31 -78.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 71.11 109.309 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -130.59 161.91 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 61.41 109.97 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.1 p -112.99 -18.99 12.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 62.43 110.394 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -61.52 -26.57 68.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 53.52 111.003 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.515 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 29.0 ttmt -69.11 -57.61 5.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 65.41 109.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 p -80.93 -66.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 72.34 110.003 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 4' ' ' THR . 17.0 tp10 -38.53 -52.94 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 74.51 110.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CE1' ' HE3' ' A' ' 13' ' ' LYS . 1.1 m-85 -109.19 148.82 38.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 64.12 111.005 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.18 18.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 63.43 111.02 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 102' ' ' ASP . 1.3 t80 -66.89 -54.58 20.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 73.11 110.98 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -46.99 -46.68 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 75.44 110.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.826 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 8.8 tmtt? -42.51 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 71.33 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 0.3 OUTLIER -49.87 -63.79 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 74.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 11' ' ' PHE . 37.3 tttt -40.26 -31.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 63.34 109.322 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.826 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -62.83 -57.99 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 45.23 109.276 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -40.88 -34.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.03 110.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.86 -48.29 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 53.35 110.015 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' ALA . 35.2 mm-40 -50.31 -37.4 36.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 73.13 110.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -78.66 -38.01 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 55.54 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.2 mt -68.7 -21.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 73.12 109.33 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.36 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 71.41 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.08 -18.75 49.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 71.13 109.322 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HG2' ' CZ ' ' A' ' 25' ' ' PHE . 15.8 tpt180 -108.23 -61.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 73.02 110.306 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.55 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 2.3 m-85 -124.7 75.77 64.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.41 111.005 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 63.55 111.041 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -102.77 12.12 36.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 63.45 109.295 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 5.4 mpt_? -104.0 178.09 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 74.3 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' VAL . 9.0 mt -147.78 91.07 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 61.23 109.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.99 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 73.44 111.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.622 HG22 ' HB3' ' A' ' 105' ' ' LEU . 3.8 t -85.72 138.59 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 74.14 109.307 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -111.48 96.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 74.13 109.31 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.73 152.17 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 62.14 108.322 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.016 ' O ' HG23 ' A' ' 108' ' ' THR . 9.7 mp0 -131.26 120.1 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.5 110.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.582 ' H ' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -40.29 139.32 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 73.54 109.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.061 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -102.51 110.89 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 51.52 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.83 -42.11 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.41 110.258 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -48.28 -36.78 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.02 109.322 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.34 148.11 51.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 62.52 109.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.77 13.67 33.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 44.44 109.238 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.88 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.8 OUTLIER -82.66 162.75 54.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 60.23 109.273 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 144.15 29.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.439 1.758 . . . . 74.22 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.92 170.92 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 62.1 110.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.732 HG23 HG23 ' A' ' 68' ' ' ILE . 3.4 pt -114.24 172.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 75.44 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -49.75 15.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 65.45 109.299 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -150.75 158.16 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.31 109.313 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.584 HH21 ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -115.83 104.38 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.45 110.267 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -158.67 114.37 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.22 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.8 m-85 -134.12 116.07 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 64.22 110.998 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 4.6 mt -104.49 97.63 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 74.32 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.825 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 153.46 43.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.41 109.251 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.38 14.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 63.35 110.972 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -88.9 18.13 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 63.24 109.262 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -124.53 1.96 8.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.54 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 51' ' ' VAL . 2.4 tt -95.23 155.2 16.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 63.21 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -101.44 160.41 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 65.14 110.383 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.455 HG22 ' SD ' ' A' ' 91' ' ' MET . 84.3 t -52.57 -45.59 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 65.41 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.38 -56.47 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 74.24 111.021 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.641 ' HB2' HD11 ' A' ' 55' ' ' LEU . 4.7 mt-30 -48.56 -40.17 26.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 64.51 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CZ ' ' CG1' ' A' ' 31' ' ' VAL . 3.5 t80 -64.18 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.02 110.982 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.716 HG22 ' CG1' ' A' ' 78' ' ' ILE . 16.6 t -74.31 -16.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 62.22 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.06 -63.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 72.43 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 64' ' ' ILE . 27.0 m -43.43 -55.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 71.24 109.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.536 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -48.99 -55.16 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 62.3 109.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.2 tpp85 -45.27 -27.94 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 73.24 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.72 -42.67 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 60.04 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.517 ' HB3' HG21 ' A' ' 44' ' ' ILE . 1.4 mmt-85 -60.74 -25.34 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 53.42 110.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.76 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.5 pt -112.64 -6.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 62.45 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.8 ptp 41.46 48.95 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 72.12 110.976 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.76 ' CD1' HD12 ' A' ' 68' ' ' ILE . 12.1 mt -65.4 164.19 26.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 50.1 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.28 42.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 61.11 110.979 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.21 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 72.02 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -101.61 -15.06 17.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 62.12 110.302 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -93.88 177.13 6.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 72.4 109.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.51 120.85 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 72.03 109.275 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.2 tt -95.54 143.89 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 71.12 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -116.63 147.92 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 63.51 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.716 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.8 mm -108.57 135.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 72.35 109.29 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.722 ' CD2' HD12 ' A' ' 84' ' ' LEU . 3.1 m-85 -126.92 124.75 40.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 72.42 111.019 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -119.39 136.85 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.42 109.289 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 44.71 53.97 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.33 109.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 48.81 45.64 22.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.12 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -138.64 -173.62 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.43 110.392 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.722 HD12 ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -143.31 91.4 6.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 64.31 109.27 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.13 43.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.79 . . . . 75.22 111.024 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.98 159.99 40.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 62.21 111.056 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -75.04 -8.2 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 71.21 110.434 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.53 -24.45 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 72.2 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.55 137.3 15.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 73.53 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -86.16 136.47 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 72.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.455 ' SD ' HG22 ' A' ' 57' ' ' VAL . 85.4 mmm -65.95 -9.2 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 75.25 111.024 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.591 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 60.7 p -88.14 -41.63 12.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 65.3 110.017 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.76 -33.22 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 71.53 109.257 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.744 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.8 mm -66.67 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.44 109.283 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.649 ' HB2' HD22 ' A' ' 105' ' ' LEU . 1.9 t80 -59.58 -25.51 64.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 72.43 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -63.03 -37.06 85.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 65.31 110.267 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -108.16 -7.69 15.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 64.1 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.744 ' CD2' HG23 ' A' ' 94' ' ' ILE . 84.5 m-70 -106.7 3.25 26.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 74.42 109.582 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -71.08 130.99 42.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 65.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -100.52 -179.98 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 73.31 109.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -56.45 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 72.12 109.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 11' ' ' PHE . 27.7 m-20 -40.48 -48.04 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 73.54 109.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -37.39 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 72.02 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -67.32 170.59 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 64.4 111.031 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 95' ' ' TYR . 7.2 tp -107.96 126.12 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 75.12 109.273 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -96.92 108.61 21.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 73.51 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -136.84 163.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 53.1 109.327 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 1.061 HG22 ' HB2' ' A' ' 36' ' ' ALA . 29.5 m -144.59 134.74 24.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 74.24 110.415 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.88 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.6 p90 -105.07 146.92 28.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.44 111.033 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.7 p -151.74 122.6 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 72.31 109.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -44.52 -32.97 3.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 64.11 111.001 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -92.88 163.36 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 63.4 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.445 ' OD1' ' CZ ' ' A' ' 115' ' ' PHE . 18.7 t-20 -90.71 45.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 65.45 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.4 p -93.9 129.99 40.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.35 110.386 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.476 ' CE2' HD13 ' A' ' 84' ' ' LEU . 11.9 m-85 -96.72 -0.05 48.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 74.54 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.159 . . . . 71.4 110.995 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mmm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.488 0.185 . . . . 74.14 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.557 ' HB3' ' HZ1' ' A' ' 6' ' ' LYS . 24.4 mtmm -70.15 -177.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 75.54 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -69.9 132.06 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 70.23 109.995 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 81.6 p -86.95 -18.83 29.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 74.33 110.404 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -74.45 -43.47 56.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 74.33 110.993 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.557 ' HZ1' ' HB3' ' A' ' 2' ' ' LYS . 1.2 pptp? -83.18 -19.95 35.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 74.41 109.27 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -95.59 -67.5 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 72.22 110.0 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 4' ' ' THR . 9.9 tt0 -60.34 -48.01 83.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 74.24 110.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' CD2' ' HG2' ' A' ' 13' ' ' LYS . 3.3 m-30 -102.93 165.29 13.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 74.51 110.999 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.63 ' HD2' ' HZ2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.05 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.53 1.805 . . . . 74.44 111.001 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -77.71 -31.21 52.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 70.54 110.994 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -71.23 -17.7 62.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 74.31 110.321 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.63 ' HZ2' ' HD2' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -67.19 -70.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 72.21 109.244 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -52.01 -24.14 6.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 75.11 110.345 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 14' ' ' ARG . 16.8 tttp -81.55 -32.14 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 70.25 109.304 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.47 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 63.01 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -53.94 49.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 75.53 110.34 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -54.09 -32.4 54.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 70.31 110.035 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 72.32 110.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' ASP . 65.9 mtp180 -78.62 -59.94 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 72.33 110.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.64 HD13 HD21 ' A' ' 50' ' ' LEU . 11.5 mt -51.42 -22.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 71.33 109.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.74 -34.2 21.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 72.23 109.247 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ARG . 6.1 t70 -72.87 -29.75 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.23 109.257 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -94.6 -52.3 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 64.54 110.259 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.5 m-85 -129.55 79.52 73.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 72.21 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -0.31 9.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 75.23 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -102.63 18.72 20.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 61.32 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -119.13 179.15 4.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.31 110.325 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' VAL . 4.0 mt -144.29 93.37 5.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 71.22 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.544 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.99 92.77 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 61.22 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 105' ' ' LEU . 43.4 t -89.98 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 62.33 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 47' ' ' ARG . 5.9 mm -116.46 91.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 61.51 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.1 t -70.24 157.33 37.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 52.21 108.269 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.825 ' O ' HG23 ' A' ' 108' ' ' THR . 29.3 mm-40 -151.81 124.55 8.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 73.35 110.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.92 138.25 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 74.14 109.253 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.34 118.07 17.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 70.21 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.15 -40.92 67.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 61.23 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -55.62 -49.36 73.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 70.12 109.247 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -48.72 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 64.11 109.992 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -131.85 24.13 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 63.33 109.311 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.928 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -80.92 162.93 58.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 50.14 109.285 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.672 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 70.12 110.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 171.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 71.13 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.622 HG23 HG23 ' A' ' 68' ' ' ILE . 3.9 pt -117.39 175.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 50.12 109.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.14 -63.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.24 109.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -153.5 -168.58 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 71.43 109.342 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 5.3 ptt180 -114.93 101.4 8.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 61.41 110.269 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -159.36 106.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.1 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -142.29 100.95 3.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.44 111.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.64 HD21 HD13 ' A' ' 21' ' ' ILE . 11.9 mt -78.78 92.22 4.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 72.31 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.1 HG13 HD22 ' A' ' 55' ' ' LEU . 3.8 t -90.21 126.65 56.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 74.41 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.0 173.02 15.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.439 1.758 . . . . 74.3 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.57 7.86 18.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.44 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -110.95 -20.04 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 75.02 109.266 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.1 HD22 HG13 ' A' ' 51' ' ' VAL . 2.0 tt -77.97 155.24 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 75.25 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 55' ' ' LEU . 11.2 p -115.53 173.19 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 75.5 110.425 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 61' ' ' VAL . 77.4 t -57.54 -53.56 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 52.24 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.34 -62.19 1.9 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 64.23 110.968 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -45.66 -44.76 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 71.04 110.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.613 ' CE1' HG21 ' A' ' 51' ' ' VAL . 4.7 t80 -56.71 -35.24 68.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 71.34 110.987 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.84 HG22 HG13 ' A' ' 78' ' ' ILE . 3.2 t -71.78 -16.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 74.51 109.354 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.14 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 72.33 111.058 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 64' ' ' ILE . 27.7 m -44.29 -54.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 75.22 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.531 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -48.24 -57.95 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.12 109.285 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.471 HH21 HG22 ' A' ' 76' ' ' ILE . 13.5 ttm180 -42.5 -27.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 75.44 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -78.44 -47.45 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 74.51 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.506 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -57.14 -26.87 61.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.45 110.299 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.961 HD12 HD12 ' A' ' 70' ' ' LEU . 1.5 pt -107.16 -13.26 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 73.23 109.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.474 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.4 ptp 41.4 49.28 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.13 110.966 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.961 HD12 HD12 ' A' ' 68' ' ' ILE . 9.0 mt -64.66 164.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 71.03 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.84 41.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 72.3 110.969 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.91 11.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 73.51 111.002 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -99.16 -13.21 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 53.14 110.325 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -96.85 165.98 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.1 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.46 106.19 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 31.24 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.695 HD12 ' CD1' ' A' ' 68' ' ' ILE . 7.0 tt -91.14 143.86 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 61.55 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 109' ' ' TYR . 91.4 m-85 -118.47 162.74 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.23 110.975 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.84 HG13 HG22 ' A' ' 61' ' ' VAL . 11.2 mm -119.16 128.07 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 73.13 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.835 ' CE2' HD13 ' A' ' 84' ' ' LEU . 79.8 m-85 -120.24 135.73 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 61.34 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 83' ' ' THR . 1.6 p -133.84 138.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 74.12 109.351 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 51.78 29.3 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 71.13 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 67.99 34.75 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 73.54 109.332 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -135.11 -173.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.32 110.439 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.835 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -144.68 93.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 63.12 109.322 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.44 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.0 173.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 73.14 111.014 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.94 170.49 20.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 73.31 111.045 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.02 -19.79 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 62.52 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.89 -27.61 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.21 109.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -42.25 127.9 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 72.22 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -78.24 127.49 32.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 72.02 109.29 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.568 ' HG3' HG11 ' A' ' 51' ' ' VAL . 87.5 mmm -55.89 -17.06 5.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.41 111.043 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.1 p -77.05 -46.8 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 73.01 109.962 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -26.92 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 61.34 109.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.792 HD11 ' HB1' ' A' ' 89' ' ' ALA . 22.6 mm -70.9 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 74.42 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.502 ' HB2' HD22 ' A' ' 105' ' ' LEU . 41.2 t80 -60.31 -17.34 42.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 63.41 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.75 -38.82 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 73.32 110.271 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -103.03 -3.0 26.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 71.43 110.357 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.779 ' CD2' HG23 ' A' ' 94' ' ' ILE . 60.9 m-70 -105.81 -31.15 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 74.5 109.601 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -40.4 135.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.21 109.271 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -103.08 179.94 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 74.11 109.308 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -66.73 -16.72 64.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 60.14 109.29 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.21 -17.79 36.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.22 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.94 -58.16 1.23 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 53.35 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.481 ' CD1' HG12 ' A' ' 32' ' ' ILE . 2.3 m-85 -49.37 175.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 64.53 110.962 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.598 ' HB3' HG22 ' A' ' 31' ' ' VAL . 8.3 tp -119.46 127.1 52.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 62.22 109.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 23.3 m-85 -98.87 118.59 35.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 70.55 111.025 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -142.66 154.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.34 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 34' ' ' GLU . 5.1 m -150.48 135.94 18.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 72.33 110.412 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.928 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.6 p90 -109.64 173.09 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 71.42 111.002 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 112' ' ' GLU . 65.7 p -160.42 124.12 3.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 54.43 109.978 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.509 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -41.12 -27.82 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 64.11 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 110' ' ' SER . 10.4 tt0 -113.91 157.02 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 71.12 110.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.418 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 5.3 t-20 -85.38 63.29 8.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 65.25 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.5 p -106.94 137.24 45.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 71.33 110.427 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -100.3 3.12 43.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 73.45 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 65.2 110.957 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.462 0.172 . . . . 75.42 111.014 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -86.06 -64.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 75.23 109.293 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 7' ' ' SER . 95.6 p -109.74 164.48 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 70.33 110.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.16 -4.4 9.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 64.44 110.426 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' TYR . 4.3 m-85 -63.99 -78.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 75.12 110.969 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.13 -6.57 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 63.5 109.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 3' ' ' SER . 0.8 OUTLIER -79.71 -67.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 74.23 110.007 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -88.65 -44.19 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 71.5 110.283 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' PHE . 1.2 m-85 -91.15 169.87 10.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 74.14 110.995 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 171.18 18.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 65.11 111.018 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 12' ' ' GLU . 7.8 p90 -85.65 -25.96 26.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 74.34 110.982 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 11' ' ' PHE . 3.3 mt-10 -67.45 -19.43 65.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 75.13 110.313 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -60.31 -57.74 11.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 64.05 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -59.71 -32.05 70.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 75.24 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -73.2 -27.96 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 74.32 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -77.58 -63.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 75.44 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -43.15 -38.23 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.14 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 p -64.62 -42.82 95.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 71.34 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' ALA . 29.0 mm-40 -53.36 -28.1 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 71.43 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -78.9 -39.57 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 54.22 110.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 30' ' ' PRO . 11.9 mt -76.59 -19.64 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 72.33 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.45 -28.37 31.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 64.25 109.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.02 -15.46 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 71.42 109.308 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.546 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 19.9 tpt180 -97.31 -62.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.24 110.263 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 3.9 m-85 -124.15 76.87 60.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 72.51 110.975 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.03 9.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 71.31 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -101.48 -6.4 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 73.4 109.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 16.2 mmt180 -92.86 -177.83 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 55.05 110.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.593 HD11 ' HA ' ' A' ' 53' ' ' ALA . 5.0 mt -145.55 93.14 5.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.11 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.629 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.97 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 75.21 111.028 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' CG1' ' CZ ' ' A' ' 60' ' ' PHE . 25.6 t -85.7 135.57 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 65.22 109.353 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.605 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 2.2 mm -111.18 91.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 73.53 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -72.22 157.34 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 32.1 108.306 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.854 ' O ' HG23 ' A' ' 108' ' ' THR . 20.0 mt-10 -136.44 118.64 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.22 110.315 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 39' ' ' SER . 1.4 tmtt? -47.89 141.06 6.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 61.4 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.846 ' HB2' ' CG2' ' A' ' 108' ' ' THR . . . -101.25 117.02 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 53.4 109.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -56.42 -53.79 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 71.42 110.34 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -44.21 -40.22 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 71.23 109.331 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 2.3 t -49.01 158.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 43.11 110.038 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.54 14.16 21.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 71.24 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.818 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -93.46 161.47 30.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 71.2 109.32 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.94 35.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.44 1.758 . . . . 71.23 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.42 169.96 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 73.12 110.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 68' ' ' ILE . 4.6 pt -113.17 173.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 71.13 109.316 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -73.98 -51.81 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 64.44 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 179.78 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 55.52 109.322 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' O ' HD13 ' A' ' 32' ' ' ILE . 3.2 ptp85 -129.76 101.48 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.31 110.259 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' C ' ' CD ' ' A' ' 48' ' ' LYS . 1.9 tmtt? -153.01 132.98 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 74.1 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 33' ' ' CYS . 50.9 m-85 -150.89 94.44 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 63.34 111.031 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -91.46 92.37 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 61.2 109.349 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.918 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.15 153.78 43.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 75.3 109.341 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.65 14.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 61.03 110.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -88.42 17.31 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 74.13 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -124.53 1.93 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 74.14 109.364 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.918 HD13 HG12 ' A' ' 51' ' ' VAL . 3.9 tt -93.95 155.41 17.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 75.33 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.2 p -103.94 161.43 13.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 63.15 110.432 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.625 HG22 ' SD ' ' A' ' 91' ' ' MET . 91.8 t -53.11 -41.95 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 54.15 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -41.27 -59.21 2.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 61.25 111.008 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.591 ' CB ' HD11 ' A' ' 55' ' ' LEU . 6.5 mt-30 -49.52 -32.63 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 73.33 110.288 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.529 ' CE1' ' CB ' ' A' ' 49' ' ' TYR . 4.0 t80 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 64.12 111.003 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.7 HG22 ' CG1' ' A' ' 78' ' ' ILE . 18.5 t -71.93 -16.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 71.14 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -63.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 72.45 110.999 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.573 HG23 HD12 ' A' ' 64' ' ' ILE . 6.9 m -45.19 -49.28 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 71.1 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.573 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -55.03 -64.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.25 109.313 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.464 ' N ' HG22 ' A' ' 64' ' ' ILE . 36.8 ttp180 -41.2 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 73.3 110.285 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -78.83 -49.08 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 75.32 109.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.0 mmt-85 -49.22 -22.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 63.35 110.253 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.03 HD12 HD22 ' A' ' 70' ' ' LEU . 1.2 pt -106.88 -23.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 72.3 109.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER 73.68 29.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.21 110.996 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.03 HD22 HD12 ' A' ' 68' ' ' ILE . 1.8 mp -64.29 149.79 93.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 60.12 109.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 172.54 16.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 73.11 111.051 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.77 . . . . 62.2 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 74' ' ' LYS . 9.9 pt-20 -95.07 -35.28 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.45 110.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -58.07 168.81 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 72.34 109.317 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.19 105.97 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 72.33 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.59 ' CD1' HD11 ' A' ' 68' ' ' ILE . 2.8 tt -104.9 132.44 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 72.55 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 81.1 m-85 -117.32 139.54 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.01 111.012 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.7 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.9 mm -89.19 142.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.24 109.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 1.08 ' CE2' HD12 ' A' ' 84' ' ' LEU . 76.5 m-85 -135.0 133.4 39.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 72.25 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.74 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 m -134.43 140.94 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 53.45 109.262 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 81' ' ' ASN . 1.7 m-80 41.93 53.59 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 72.3 109.293 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 50.34 45.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 74.45 109.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -139.69 -173.63 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 54.55 110.427 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.08 HD12 ' CE2' ' A' ' 79' ' ' PHE . 4.3 tt -143.77 93.64 6.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.21 109.323 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.66 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 75.51 110.99 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.98 168.13 25.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 52.25 110.998 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -80.83 -13.99 58.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 75.55 110.345 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.01 -26.9 23.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 43.2 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.457 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -47.07 139.37 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 41.42 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.4 tp -89.06 131.85 35.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 63.2 109.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.625 ' SD ' HG22 ' A' ' 57' ' ' VAL . 73.1 mmm -62.65 -12.3 22.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 51.21 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.413 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 22.8 t -84.07 -41.57 17.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 70.32 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.72 -36.36 57.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 61.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.838 HG23 ' CD2' ' A' ' 98' ' ' HIS . 15.2 mm -65.76 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 74.53 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.51 ' CD2' HG23 ' A' ' 29' ' ' ILE . 3.0 t80 -57.95 -23.92 55.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 73.43 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.1 -37.3 87.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.13 110.343 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -110.18 -0.71 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 75.24 110.321 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.838 ' CD2' HG23 ' A' ' 94' ' ' ILE . 83.5 m-70 -112.97 -9.55 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 72.01 109.562 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -50.23 143.6 8.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 64.33 109.262 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 2.9 t70 -98.86 179.98 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 71.11 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -77.14 -16.37 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 54.13 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.86 -14.89 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.33 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.48 -59.56 0.36 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 75.02 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.605 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 2.5 m-85 -49.27 177.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 73.33 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.547 HD11 ' CB ' ' A' ' 98' ' ' HIS . 7.8 tp -116.44 156.5 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 74.32 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.595 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.5 OUTLIER -125.05 105.36 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 75.55 110.995 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.49 HG21 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -135.63 162.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 61.12 109.281 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 34' ' ' GLU . 4.0 m -145.38 137.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 53.23 110.404 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.818 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.9 p90 -106.14 148.12 28.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.35 110.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 1.7 t -145.37 134.35 22.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 74.01 109.95 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.37 -14.28 33.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 52.31 111.013 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -110.83 163.46 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 62.13 110.29 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.566 ' ND2' HD13 ' A' ' 84' ' ' LEU . 2.0 t-20 -97.43 73.83 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 52.53 109.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.3 p -144.08 142.58 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.42 110.367 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -90.71 -7.51 52.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 71.41 110.976 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 53.1 110.96 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ttm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.51 0.195 . . . . 75.42 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -77.41 -62.79 1.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 71.33 109.258 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -118.28 111.62 19.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.2 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLU . 4.1 p -74.68 -27.73 60.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 54.2 110.4 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 14' ' ' ARG . 2.2 t80 -53.22 -23.5 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 72.23 110.973 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -59.02 -65.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 73.52 109.308 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -91.13 -53.51 4.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 75.1 109.978 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' THR . 1.2 tp10 -41.31 -33.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 62.21 110.286 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -136.25 158.63 73.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 72.2 111.005 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 75.04 111.014 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 4.8 p90 -93.97 -16.76 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 72.31 110.96 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -75.88 -27.57 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 75.3 110.305 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HZ2' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -53.61 -68.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 74.22 109.32 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 60.0 mtt180 -51.54 -44.18 62.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 73.24 110.277 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -44.53 -53.44 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 74.13 109.3 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.27 -57.76 7.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 54.34 109.359 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -42.49 -29.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 65.5 110.342 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -89.14 -40.93 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 54.35 110.003 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' ALA . 17.3 mm-40 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 75.53 110.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -80.66 -51.62 8.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 73.41 110.321 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.456 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 19.0 mt -64.01 -18.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.11 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.1 -38.66 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 55.32 109.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.58 -33.14 62.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.2 109.329 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -81.15 -40.37 24.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 72.51 110.292 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 5.2 m-85 -146.0 81.31 9.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 71.42 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.07 9.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 52.51 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -106.96 17.39 23.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 74.24 109.32 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 12.3 mmt85 -114.02 -177.8 3.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 74.34 110.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.826 HG23 ' CD2' ' A' ' 95' ' ' TYR . 34.9 mt -147.26 90.9 5.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 74.13 109.329 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.0 97.09 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 74.13 110.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.634 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 3.3 t -85.68 136.18 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 74.43 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.631 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 4.7 mm -113.92 92.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.02 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HG ' ' HA ' ' A' ' 108' ' ' THR . 7.0 t -87.74 157.35 19.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 71.2 108.309 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.974 ' O ' HG23 ' A' ' 108' ' ' THR . 21.5 mp0 -138.88 118.53 13.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 61.42 110.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HZ2' ' HE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -41.04 144.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 72.31 109.313 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.851 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -102.65 109.18 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 64.32 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.8 pt-20 -43.46 -49.44 7.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 71.13 110.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.26 -40.56 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 54.44 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.429 ' OG ' HG23 ' A' ' 41' ' ' ILE . 7.8 t -49.3 161.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 74.22 109.982 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -121.42 13.39 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 73.1 109.265 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.801 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -90.98 163.64 28.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 64.33 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 133.21 16.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 70.14 110.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.05 170.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.54 110.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 68' ' ' ILE . 3.5 pt -109.08 -172.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 70.23 109.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -79.25 -56.26 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 75.34 109.355 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.54 177.65 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 53.33 109.314 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -111.44 102.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 73.45 110.305 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -158.79 111.98 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 73.23 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' HG13 ' A' ' 64' ' ' ILE . 53.4 m-85 -135.52 96.21 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.24 110.973 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 3.7 tp -98.56 94.06 6.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 55.41 109.316 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.681 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.65 158.06 37.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 64.54 109.313 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.23 14.86 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.799 . . . . 72.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 17.59 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 73.53 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -8.55 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 65.42 109.296 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.681 HD13 ' CG1' ' A' ' 51' ' ' VAL . 7.6 tt -81.22 157.9 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 52.44 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.577 HG22 HD12 ' A' ' 90' ' ' LEU . 16.6 p -118.3 152.0 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 61.24 110.399 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 61' ' ' VAL . 93.6 t -40.46 -47.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 75.32 109.311 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.22 -54.32 2.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 61.01 110.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . 13.7 mt-30 -58.08 -53.4 58.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 72.42 110.289 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.634 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 59.6 t80 -46.66 -54.94 8.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 70.14 110.99 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.861 HG22 HG13 ' A' ' 78' ' ' ILE . 19.1 t -50.55 -28.47 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 52.1 109.288 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 1.4 t80 -80.69 -60.43 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 63.14 111.022 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 t -40.9 -50.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 72.31 109.316 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -54.05 -52.62 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 71.11 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' MET . 18.6 ttm180 -48.64 -23.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 73.43 110.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -74.12 -43.64 56.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 61.42 109.326 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . 17.0 mmt180 -60.82 -18.71 57.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 70.3 110.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.946 HD12 HD22 ' A' ' 70' ' ' LEU . 3.0 pt -113.74 -11.77 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 72.5 109.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.0 ptp 40.96 48.47 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 71.25 111.003 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.946 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -70.41 155.61 93.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 52.13 109.297 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.23 23.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 64.33 111.012 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.58 10.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 72.25 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.21 -29.27 14.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 74.43 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 173.72 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 72.01 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.0 106.24 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 44.11 109.315 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 68' ' ' ILE . 5.0 tt -107.67 161.16 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 35.25 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 76' ' ' ILE . 55.2 m-85 -151.26 148.0 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 74.11 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.861 HG13 HG22 ' A' ' 61' ' ' VAL . 3.1 mm -108.17 137.6 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 34.3 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.769 ' CE2' HD13 ' A' ' 84' ' ' LEU . 67.6 m-85 -127.24 122.54 34.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 60.12 111.009 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.622 ' O ' HG22 ' A' ' 83' ' ' THR . 1.5 p -111.23 133.44 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.04 109.275 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 44.5 61.22 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 64.54 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 43.12 41.09 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 61.32 109.332 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.695 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -141.68 -173.76 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 73.51 110.373 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.769 HD13 ' CE2' ' A' ' 79' ' ' PHE . 5.1 tp -138.21 100.34 8.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 74.14 109.309 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 156.53 43.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 75.12 111.017 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.01 160.33 40.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 71.32 110.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -2.48 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.03 110.396 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.73 -26.83 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 71.14 109.295 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -50.69 137.36 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 45.53 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.577 HD12 HG22 ' A' ' 56' ' ' THR . 6.5 tp -88.48 130.14 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 70.33 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 86.2 mmm -57.08 -16.44 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 53.41 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 p -74.84 -50.01 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 53.34 109.935 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 71.55 109.28 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.485 HD11 ' HB1' ' A' ' 89' ' ' ALA . 20.5 mm -71.68 -57.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 65.2 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.826 ' CD2' HG23 ' A' ' 29' ' ' ILE . 2.2 t80 -60.35 -18.06 47.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 73.55 111.055 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -77.03 -33.51 57.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 65.54 110.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -109.08 -0.85 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.3 110.347 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.553 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 50.2 m-70 -122.98 26.92 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 74.42 109.537 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 135.59 34.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.23 109.305 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 179.28 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 64.41 109.342 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -78.21 -0.52 28.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.15 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 -3.71 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.23 109.285 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.12 -1.38 85.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.155 . . . . 43.3 111.03 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.631 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -103.78 -179.22 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.761 . . . . 64.54 110.997 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.822 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.5 OUTLIER -110.72 156.16 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 54.23 109.281 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.628 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -128.26 105.74 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 72.1 111.003 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.588 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -132.95 160.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 75.24 109.277 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.974 HG23 ' O ' ' A' ' 34' ' ' GLU . 19.2 m -145.09 125.45 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 73.53 110.41 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.801 ' HE1' HD11 ' A' ' 41' ' ' ILE . 6.3 p90 -109.09 141.37 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 75.35 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 4.5 m -140.57 157.43 45.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 55.51 110.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -77.37 2.06 63.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 50.21 110.981 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -125.57 157.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 71.12 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.62 68.2 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 75.5 109.285 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p -129.36 148.42 51.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 71.04 110.402 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -89.84 -4.16 57.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 73.33 111.03 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 54.45 111.034 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.486 0.184 . . . . 62.31 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -83.39 -52.15 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.41 109.25 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 m -130.58 112.85 13.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 74.52 109.977 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 8' ' ' GLU . 6.6 p -55.97 -36.63 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 60.34 110.385 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -49.47 -25.64 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 74.03 111.025 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -55.16 -67.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 75.23 109.339 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.7 p -91.83 -51.03 5.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 64.12 110.037 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' THR . 13.9 tt0 -42.05 -31.34 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 70.32 110.36 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -139.6 158.27 68.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.3 111.032 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -75.03 168.07 25.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 53.33 111.023 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' CD2' ' OD1' ' A' ' 102' ' ' ASP . 0.9 OUTLIER -76.44 -27.98 56.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 74.01 111.004 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.8 -48.64 45.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 53.33 110.337 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' CG ' ' HG2' ' A' ' 10' ' ' PRO . 7.1 mmtm -44.83 -29.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 43.24 109.276 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -76.52 -47.05 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 74.02 110.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' SER . 21.6 ttpt -61.51 -60.52 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 73.44 109.31 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -47.81 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 72.41 109.268 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -48.86 -40.65 30.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 72.11 110.307 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 1.4 t -74.37 -42.12 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 53.01 109.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.43 -26.71 8.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 71.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -82.03 -54.53 5.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 62.33 110.344 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.444 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 28.8 mt -60.28 -19.58 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 75.53 109.248 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -84.34 -42.88 15.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 55.11 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.16 -40.42 81.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 75.14 109.247 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -85.39 -50.56 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 63.11 110.344 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.7 m-85 -126.15 74.05 72.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 70.22 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.5 Cg_endo -74.94 -2.24 12.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 74.14 111.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -104.99 8.79 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 75.21 109.272 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 6.0 mpt_? -104.23 -178.0 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 63.42 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 95' ' ' TYR . 1.7 mt -142.95 90.35 7.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 73.12 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.02 91.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 54.33 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.868 HG22 ' CB ' ' A' ' 105' ' ' LEU . 2.7 t -85.61 153.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 64.33 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.2 mm -128.24 92.03 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 74.43 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.737 ' HB2' HG13 ' A' ' 107' ' ' VAL . 35.7 t -92.81 154.43 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 71.2 108.252 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.881 ' O ' HG23 ' A' ' 108' ' ' THR . 2.5 mp0 -140.97 118.68 11.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 64.34 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.6 136.65 50.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 71.15 109.337 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.14 123.23 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.31 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -57.0 -43.94 82.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.04 110.252 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -54.7 -47.36 73.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 75.35 109.34 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 p -39.64 157.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.1 109.997 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -107.83 28.9 7.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 33.41 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.618 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -99.63 160.2 28.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 64.13 109.303 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 74.11 111.018 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.64 159.73 4.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 75.42 110.291 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.572 HG21 ' HB3' ' A' ' 67' ' ' ARG . 14.3 pt -103.03 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.34 109.267 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.15 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.34 109.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 -167.91 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 72.42 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.686 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -118.64 101.6 8.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 71.34 110.254 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -153.42 123.98 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.52 109.33 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 21.8 m-85 -137.97 104.57 5.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 72.35 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -106.96 92.11 3.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 75.24 109.322 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.726 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -116.12 154.45 48.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 70.21 109.276 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 73.35 110.979 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -88.29 17.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.41 109.289 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.02 -3.03 10.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.3 109.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.726 HD13 HG12 ' A' ' 51' ' ' VAL . 6.3 tt -89.79 152.84 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 73.4 109.267 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -113.57 164.21 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 64.32 110.357 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 61' ' ' VAL . 95.7 t -48.42 -44.0 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.52 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.01 -56.08 2.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 72.43 111.011 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.589 ' HB2' HD11 ' A' ' 55' ' ' LEU . 3.8 mm100 -55.45 -51.17 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 72.11 110.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.1 t80 -48.93 -58.78 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.01 110.994 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.7 HG22 ' CG1' ' A' ' 78' ' ' ILE . 35.6 t -44.03 -30.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 72.52 109.325 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -80.29 -45.9 17.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.42 110.993 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.11 -45.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 52.25 109.307 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 60' ' ' PHE . 4.4 mp -61.03 -55.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.45 109.298 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -43.83 -26.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.02 110.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -82.74 -44.17 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 74.51 109.265 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.572 ' HB3' HG21 ' A' ' 44' ' ' ILE . 7.1 mmt-85 -58.66 -29.89 66.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 74.34 110.254 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.049 HD12 HD22 ' A' ' 70' ' ' LEU . 1.4 pt -108.37 -8.64 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 72.31 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 11.7 ptp 41.75 47.12 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 74.15 111.019 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.049 HD22 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -69.98 155.8 92.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 62.12 109.286 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.06 19.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 51.31 110.977 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 70.13 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.29 -40.8 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 74.32 110.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 74.25 109.326 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 111' ' ' GLY . . . -153.8 106.12 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 53.5 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.652 HD12 ' CD1' ' A' ' 68' ' ' ILE . 4.6 tt -110.26 161.41 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 71.02 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -151.02 145.65 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 72.14 111.035 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 84' ' ' LEU . 2.5 mm -101.66 139.21 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 50.41 109.277 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.832 ' CE2' HD13 ' A' ' 84' ' ' LEU . 69.5 m-85 -131.04 120.55 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.21 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.573 HG12 HG22 ' A' ' 83' ' ' THR . 1.3 p -111.24 130.15 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 63.41 109.322 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.581 HD22 ' N ' ' A' ' 81' ' ' ASN . 1.4 m-80 46.68 65.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.33 109.259 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 40.27 37.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 74.34 109.278 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -138.29 179.82 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.33 110.444 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.832 HD13 ' CE2' ' A' ' 79' ' ' PHE . 2.6 tp -136.7 99.63 10.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 73.22 109.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.431 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.96 161.74 38.36 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.439 1.758 . . . . 74.03 111.05 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.06 165.49 31.12 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.799 . . . . 74.11 110.978 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 3.45 36.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.24 110.344 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.2 -28.35 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 74.23 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . . . -44.06 126.97 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 72.12 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.05 127.24 32.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 71.25 109.298 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.2 mmm -56.5 -16.72 6.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 64.44 110.997 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 p -75.09 -47.87 26.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 72.45 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.57 61.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 73.51 109.281 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.493 HG23 ' CD2' ' A' ' 98' ' ' HIS . 17.6 mm -67.53 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 71.13 109.287 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -56.74 -19.68 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 60.44 111.023 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.84 -40.27 75.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 75.41 110.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -107.73 -0.67 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 74.43 110.314 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.578 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 89.9 m-70 -116.97 20.66 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 71.43 109.579 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -94.57 135.73 35.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 64.52 109.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -96.08 179.96 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 75.32 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.28 -15.69 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 73.43 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.556 ' OD1' ' CD2' ' A' ' 11' ' ' PHE . 2.3 m-20 -87.83 -16.55 33.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 73.44 109.321 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.66 -51.8 1.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 55.13 111.006 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.7 m-85 -49.56 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 73.21 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.868 ' CB ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -113.27 157.84 21.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 73.14 109.321 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -130.23 102.83 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 72.15 110.992 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.737 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -124.72 159.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 75.43 109.323 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 34' ' ' GLU . 39.0 m -154.98 114.63 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 72.32 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.618 ' HE1' HD11 ' A' ' 41' ' ' ILE . 5.5 p90 -101.57 -173.64 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 73.22 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -174.74 161.93 3.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.23 110.024 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 75' ' ' ALA . . . -75.37 -0.24 61.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 74.22 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -124.08 156.95 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 64.35 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -87.76 63.67 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.3 109.318 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.531 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 5.2 p -128.86 160.27 33.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 65.35 110.434 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -93.44 3.89 54.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 41.45 111.012 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 65.22 111.011 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mtm . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.539 0.209 . . . . 70.3 110.967 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -116.19 -49.02 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.32 109.286 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -141.58 132.52 26.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 64.04 110.04 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 p -67.05 -37.84 84.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 62.11 110.406 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.49 ' CE2' ' HD2' ' A' ' 47' ' ' ARG . 13.4 m-30 -44.97 -25.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 71.25 110.964 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -64.93 -45.6 85.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 65.11 109.24 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 m -99.62 -63.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 72.34 109.999 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -39.58 -37.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 62.42 110.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -126.16 157.57 69.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.24 111.015 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' HG2' ' CG ' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.02 163.7 34.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 71.4 110.999 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 102' ' ' ASP . 2.1 t80 -75.63 -20.62 58.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 73.43 110.983 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -78.79 -49.91 12.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.45 110.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.651 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.2 mmtm -42.49 -53.53 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 74.34 109.304 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -53.72 -59.74 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 73.45 110.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -46.67 -33.73 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 71.34 109.251 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -64.23 -60.14 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 43.45 109.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.23 -32.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 63.14 110.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 t -79.33 -52.25 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 65.23 109.965 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.63 -31.83 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 75.21 110.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -80.23 -44.76 19.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 73.15 110.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.541 HG23 HD21 ' A' ' 50' ' ' LEU . 29.5 mt -60.63 -24.9 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 63.31 109.278 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.8 -37.8 29.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 61.03 109.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.73 -46.7 88.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 74.23 109.268 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -80.43 -43.88 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 65.21 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 2.6 m-85 -132.6 78.41 67.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 72.14 110.977 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 0.01 9.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 74.32 110.981 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -108.22 17.39 22.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 73.11 109.321 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 24.6 mmt180 -112.93 -177.9 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 64.53 110.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.836 HG23 ' CD2' ' A' ' 95' ' ' TYR . 15.5 mt -149.06 93.55 4.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.34 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.2 Cg_endo -75.02 97.57 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.515 1.797 . . . . 63.13 110.989 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.902 HG22 ' HB3' ' A' ' 105' ' ' LEU . 2.8 t -94.92 126.73 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 52.11 109.283 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.592 HG23 ' HD3' ' A' ' 47' ' ' ARG . 2.6 mm -98.3 91.8 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 73.25 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.648 ' SG ' HG23 ' A' ' 107' ' ' VAL . 49.9 t -94.53 157.41 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 72.23 108.321 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.594 ' HG3' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -132.81 170.86 14.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.14 110.274 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 109' ' ' TYR . 2.1 tmtt? -100.15 134.13 43.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.15 109.33 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.809 ' HB3' ' HB3' ' A' ' 39' ' ' SER . . . -64.61 111.39 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.12 109.294 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.17 -36.33 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.32 110.313 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -68.4 -38.63 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 64.4 109.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.809 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 6.6 p -48.36 175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 61.41 110.029 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -122.85 21.95 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 72.21 109.306 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -87.98 154.58 52.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 74.31 109.278 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.706 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.95 135.07 18.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 55.32 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -55.36 163.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 45.22 110.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.811 ' CG2' HG23 ' A' ' 68' ' ' ILE . 27.6 pt -114.58 166.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 75.31 109.279 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -47.65 -58.37 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 64.43 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.57 -167.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 70.51 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HD3' HG23 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -119.23 101.46 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 65.53 110.279 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -159.27 102.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.31 109.326 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 97.2 m-85 -124.24 93.75 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 75.33 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD21 HG23 ' A' ' 21' ' ' ILE . 4.8 tp -95.63 96.79 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 71.11 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.789 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.65 153.66 44.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 74.04 109.342 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 64.14 110.985 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.596 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -89.28 18.52 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 54.52 109.324 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -124.44 1.76 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 72.4 109.326 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.789 HD13 HG12 ' A' ' 51' ' ' VAL . 4.0 tt -93.72 155.75 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 74.44 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -105.29 154.87 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.4 110.41 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 60' ' ' PHE . 73.1 t -47.54 -44.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 71.03 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' VAL . . . -40.61 -58.8 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 52.11 111.017 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.526 ' CB ' HD11 ' A' ' 55' ' ' LEU . 23.7 mt-30 -45.44 -37.6 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 72.21 110.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 64' ' ' ILE . 10.2 t80 -63.64 -36.38 83.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 64.44 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' GLY . 11.1 t -68.63 -16.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 72.04 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -86.72 -63.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.15 111.006 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG23 HD12 ' A' ' 64' ' ' ILE . 6.3 m -44.8 -47.85 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 73.23 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 HG23 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -56.53 -64.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 64.42 109.286 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 64' ' ' ILE . 18.6 ttm180 -40.62 -28.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 75.24 110.268 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -79.76 -49.19 12.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 73.32 109.271 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.497 ' O ' HG22 ' A' ' 44' ' ' ILE . 4.6 mmp_? -50.15 -21.82 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 72.14 110.259 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.032 HD12 HD22 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -106.58 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 50.42 109.299 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' C ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 72.2 31.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 72.51 110.965 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.032 HD22 HD12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -64.32 152.72 88.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 62.42 109.29 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 73.2 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 64.32 110.981 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.32 -29.63 13.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 65.42 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 4.2 mttp -69.73 170.42 10.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 72.53 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.67 106.13 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 73.12 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 41' ' ' ILE . 6.5 tt -102.66 130.82 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 63.44 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 67.5 m-85 -110.61 138.63 46.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 73.11 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.509 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.7 mm -94.24 141.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 73.42 109.317 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.631 ' CE2' HD13 ' A' ' 84' ' ' LEU . 38.4 m-85 -129.18 129.71 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.14 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.77 ' O ' HG22 ' A' ' 83' ' ' THR . 1.3 p -129.34 128.82 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.15 109.307 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.472 ' ND2' ' ND1' ' A' ' 98' ' ' HIS . 77.2 m-20 58.42 37.45 25.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 72.41 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 59.95 34.28 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.43 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.97 -173.79 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 73.44 110.387 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.631 HD13 ' CE2' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -147.08 94.8 4.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.43 109.298 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.451 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.5 Cg_endo -74.99 164.04 34.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.773 . . . . 63.53 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.86 40.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 63.34 110.976 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -17.33 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 73.11 110.397 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.17 -26.58 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 34.31 109.267 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.45 133.98 19.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 74.52 109.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -86.07 135.64 33.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 64.41 109.302 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.9 mmm -62.93 -11.71 20.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.04 110.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.596 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 53.9 p -84.28 -44.45 13.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 64.33 109.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.3 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 64.14 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.877 HG23 ' CD2' ' A' ' 98' ' ' HIS . 19.3 mm -65.51 -61.36 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 64.24 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.836 ' CD2' HG23 ' A' ' 29' ' ' ILE . 4.1 t80 -54.92 -22.1 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 75.33 110.996 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.63 -36.38 76.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 74.31 110.307 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -109.01 -0.77 19.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 50.42 110.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.877 ' CD2' HG23 ' A' ' 94' ' ' ILE . 42.8 m-70 -109.53 -21.47 12.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 72.53 109.603 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -44.65 142.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 75.12 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.12 179.75 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 75.03 109.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -68.16 -17.97 64.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 70.21 109.303 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 3.7 p-10 -90.71 -14.77 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 62.3 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -54.02 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 75.34 110.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -51.64 170.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 75.42 110.982 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.902 ' HB3' HG22 ' A' ' 31' ' ' VAL . 5.9 tp -115.08 128.34 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 75.31 109.32 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -101.7 117.77 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 52.43 110.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.648 HG23 ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -144.04 165.31 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 72.43 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 34' ' ' GLU . 5.3 m -155.58 133.21 11.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.01 110.401 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 35' ' ' LYS . 2.2 p90 -107.61 -179.91 4.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 70.22 110.938 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.5 p -169.96 131.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 72.21 110.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.48 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -47.26 -23.51 1.88 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 64.1 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -104.67 157.74 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 74.14 110.328 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.72 70.18 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 61.34 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 p -129.67 157.51 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 71.23 110.408 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -95.55 -0.14 52.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 71.31 110.971 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 54.23 111.007 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mmm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.453 0.168 . . . . 70.54 111.044 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -87.89 -73.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 64.31 109.322 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -117.21 113.33 22.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 74.43 110.014 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 5.0 p -92.94 -1.79 56.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 64.12 110.412 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 2.8 m-30 -68.87 -38.8 79.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 75.41 111.028 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -33.14 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 71.43 109.345 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -79.57 -66.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 72.15 110.031 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 4' ' ' THR . 1.9 tp10 -57.69 -40.95 80.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 74.31 110.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -123.31 164.76 25.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 75.44 110.972 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 162.98 36.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 55.42 111.008 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.45 -28.49 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 71.4 110.946 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.99 -30.46 67.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 75.22 110.309 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 23.6 tptt -57.07 -66.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 63.05 109.323 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -42.8 -45.26 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 62.12 110.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -61.56 -42.39 98.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 74.34 109.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -53.22 -61.76 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 74.24 109.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.98 -52.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 62.23 110.287 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -51.42 -45.92 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 74.01 110.029 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.9 mt-10 -55.68 -26.82 46.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 62.34 110.256 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -79.96 -34.04 39.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 75.31 110.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.824 HG21 ' HG3' ' A' ' 30' ' ' PRO . 29.2 mt -77.21 -27.63 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 72.41 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.94 -22.07 43.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 63.45 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -94.01 -18.04 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.1 109.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -105.19 -64.62 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 74.55 110.302 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.3 m-85 -121.83 76.05 38.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 75.41 111.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 75.43 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -101.34 12.59 37.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 63.52 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 50' ' ' LEU . 6.4 mmm180 -112.15 -177.86 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 71.12 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 95' ' ' TYR . 45.8 mt -147.0 90.55 5.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 74.32 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.824 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 102.38 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 71.54 111.02 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.681 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -87.48 154.57 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 74.44 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.4 mm -133.1 92.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 63.03 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 14.2 p -89.0 157.42 18.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 61.34 108.326 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 108' ' ' THR . 31.6 mt-10 -136.45 119.97 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.03 110.304 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HZ2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -40.24 139.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 72.12 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.569 ' HB3' ' OG ' ' A' ' 39' ' ' SER . . . -98.36 109.47 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 65.03 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -47.57 -33.69 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 70.22 110.314 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -57.5 -42.94 83.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 63.4 109.272 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.569 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -56.63 167.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.43 109.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -124.56 13.61 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 73.13 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.555 HD11 ' HZ2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -79.34 161.73 66.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 72.43 109.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.65 19.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 75.05 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.6 161.59 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 74.32 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.79 ' CG2' HG23 ' A' ' 68' ' ' ILE . 29.8 pt -109.81 -172.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 63.34 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -80.15 -55.85 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 74.23 109.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.487 ' HD3' HH21 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -158.88 160.95 36.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 72.11 109.329 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.589 ' HG3' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -105.69 101.85 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 72.1 110.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -158.78 110.72 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 71.32 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.653 ' HB2' HG12 ' A' ' 31' ' ' VAL . 49.6 m-85 -136.47 123.9 22.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 74.12 110.965 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 30' ' ' PRO . 5.7 mt -109.47 101.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 75.12 109.305 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.853 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.58 152.5 42.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 65.34 109.298 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.23 14.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 65.13 111.025 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 92' ' ' SER . . . -89.16 17.77 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 73.25 109.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -124.54 1.96 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.1 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.853 HD13 HG12 ' A' ' 51' ' ' VAL . 4.0 tt -92.28 154.1 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 63.14 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.7 p -100.96 160.81 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 74.54 110.396 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.593 HG22 ' SD ' ' A' ' 91' ' ' MET . 63.9 t -55.91 -52.42 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 65.43 109.279 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.68 -42.91 2.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 74.32 110.983 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -57.31 -43.23 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 64.44 110.268 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.681 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 20.5 t80 -61.22 -58.85 6.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.22 111.0 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 78' ' ' ILE . 21.8 t -40.43 -29.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.53 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' PHE . 7.8 t80 -77.7 -48.32 17.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 62.21 110.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.912 HG12 HD12 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -46.01 -45.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 65.02 109.345 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.912 HD12 HG12 ' A' ' 63' ' ' VAL . 1.4 mp -63.92 -51.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 71.54 109.246 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' MET . 10.9 ttp180 -46.04 -24.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 44.1 110.354 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -50.95 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 64.55 109.282 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.487 HH21 ' HD3' ' A' ' 46' ' ' LYS . 3.9 mmt-85 -54.17 -28.13 38.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 71.34 110.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.925 HD12 HD22 ' A' ' 70' ' ' LEU . 1.3 pt -107.07 -14.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 62.24 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.5 ptp 42.44 47.19 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 73.34 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.925 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -64.47 164.76 17.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 64.13 109.328 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.39 27.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 74.22 110.961 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.812 . . . . 75.51 111.027 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.48 -36.42 11.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 62.42 110.337 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.37 173.17 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 53.13 109.281 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.84 108.43 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 73.33 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.705 HD13 HD11 ' A' ' 68' ' ' ILE . 3.5 tt -99.37 159.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 75.41 109.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -148.51 137.87 21.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 75.31 110.992 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 61' ' ' VAL . 15.8 mm -93.65 152.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 55.34 109.279 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 114' ' ' THR . 4.5 m-85 -136.71 140.22 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 64.41 111.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.619 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -126.6 123.8 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 50.14 109.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.635 HD22 ' N ' ' A' ' 81' ' ' ASN . 1.3 m-80 59.12 41.5 20.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 72.32 109.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.22 30.9 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.51 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.546 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -128.63 176.42 7.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 64.33 110.399 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.546 ' N ' HG23 ' A' ' 83' ' ' THR . 0.6 OUTLIER -133.19 95.64 18.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 64.22 109.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.75 28.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.541 1.811 . . . . 72.54 111.027 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.0 157.27 42.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 53.41 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.17 -14.29 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 73.05 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.96 -26.69 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 53.43 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -49.17 136.07 15.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.34 109.336 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.3 tp -86.3 132.89 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 64.43 109.317 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.593 ' SD ' HG22 ' A' ' 57' ' ' VAL . 86.3 mmm -61.29 -13.06 16.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 70.52 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.453 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 55.0 p -81.13 -45.9 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.14 110.015 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.26 -31.78 58.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 62.43 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.687 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.4 mm -67.6 -60.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.14 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.604 ' CD2' HG23 ' A' ' 29' ' ' ILE . 6.4 t80 -61.05 -22.08 64.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 62.44 110.979 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.18 -34.86 77.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 71.53 110.305 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.5 -0.71 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 74.05 110.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.687 ' CD2' HG23 ' A' ' 94' ' ' ILE . 80.4 m-70 -114.08 -12.19 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 53.01 109.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -45.11 142.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.55 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.401 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 3.0 t70 -96.86 179.66 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 72.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -76.91 -12.95 60.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 71.3 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.5 p30 -103.32 14.24 31.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 63.33 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.31 -61.89 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 71.31 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -46.34 172.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 54.23 110.984 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.485 HD11 ' C ' ' A' ' 98' ' ' HIS . 8.3 tp -115.33 165.16 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 71.45 109.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -131.51 122.2 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 74.41 111.008 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.51 HG21 ' HE2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -143.74 177.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.34 109.296 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 34' ' ' GLU . 2.3 m -151.05 132.47 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 65.31 110.413 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.404 ' HB3' ' CD1' ' A' ' 78' ' ' ILE . 46.1 p90 -113.94 136.53 52.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.55 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.441 ' HG ' ' CB ' ' A' ' 39' ' ' SER . 37.8 t -142.41 153.1 43.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 54.13 109.959 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.42 -6.01 52.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.523 1.14 . . . . 65.34 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.653 ' HG2' HG23 ' A' ' 114' ' ' THR . 34.1 tt0 -109.32 156.65 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.786 . . . . 74.03 110.322 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.64 50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 52.13 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.653 HG23 ' HG2' ' A' ' 112' ' ' GLU . 22.9 p -93.23 171.53 8.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 64.45 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -101.61 5.75 41.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 72.35 111.009 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 74.04 110.996 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.472 0.177 . . . . 71.32 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.64 -67.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 73.11 109.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -128.79 103.68 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 71.42 110.037 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p -57.42 -38.99 75.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 71.24 110.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 1.6 t80 -42.86 -26.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.21 111.035 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -55.9 -67.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.51 109.31 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 9' ' ' TYR . 8.5 m -90.72 -50.8 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 73.11 110.023 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -39.07 -31.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 61.13 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 7' ' ' SER . 6.9 m-85 -143.73 156.07 59.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 52.45 111.054 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.34 22.84 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.516 1.798 . . . . 73.42 110.997 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 4.5 t80 -76.21 -39.35 54.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 75.21 110.958 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.47 -16.88 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 70.22 110.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -58.34 -69.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.11 109.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 5' ' ' PHE . 13.3 ptm180 -59.52 -49.41 77.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 64.02 110.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 25.3 tttp -47.4 -34.64 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.31 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.48 -44.72 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 63.15 109.247 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -47.39 -48.18 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 63.04 110.257 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -60.4 -45.39 93.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 55.13 109.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -51.19 -27.48 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 64.41 110.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -80.57 -57.44 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 43.54 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.438 HD13 ' HB3' ' A' ' 30' ' ' PRO . 8.4 mt -56.48 -20.65 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 64.53 109.333 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.8 -32.07 27.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 62.32 109.337 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.64 -35.14 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.24 109.287 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 5.3 tpt180 -84.41 -49.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.35 110.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 2.1 m-85 -139.89 88.29 12.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 61.33 111.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.44 12.54 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 72.45 110.995 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.32 24.37 11.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 62.41 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.862 ' HG3' HD11 ' A' ' 50' ' ' LEU . 18.9 mmt-85 -117.97 -177.81 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 75.54 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.627 ' CG2' ' CD2' ' A' ' 95' ' ' TYR . 13.6 mt -149.95 96.37 3.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.51 109.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.3 Cg_endo -75.06 95.62 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 70.12 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -85.77 160.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 71.02 109.288 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.539 ' CG1' ' CD1' ' A' ' 104' ' ' PHE . 8.1 mm -134.23 93.6 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 65.23 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.824 ' HB2' HG13 ' A' ' 107' ' ' VAL . 46.0 t -98.45 157.21 16.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 60.52 108.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 108' ' ' THR . 39.6 mt-10 -139.92 118.43 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 71.24 110.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -50.01 136.53 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.53 109.267 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.879 ' HB3' ' HB3' ' A' ' 39' ' ' SER . . . -66.0 109.67 2.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 61.31 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.53 -44.45 56.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 75.52 110.275 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -62.29 -35.83 80.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 74.12 109.257 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.879 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.0 p -46.82 171.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 73.03 109.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.36 19.36 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 74.21 109.302 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.692 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -89.68 161.09 40.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 75.12 109.302 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.708 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.99 121.88 6.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.768 . . . . 71.25 110.963 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.64 164.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 61.32 110.311 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.755 HG21 ' HB3' ' A' ' 67' ' ' ARG . 4.7 pt -105.83 170.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 71.02 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -63.15 -57.4 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 51.43 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 -174.43 3.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 70.14 109.313 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.547 ' NH2' ' CG ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -126.17 101.61 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 71.44 110.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -159.46 115.94 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 70.53 109.265 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.722 ' HB2' HG12 ' A' ' 31' ' ' VAL . 81.1 m-85 -129.7 93.77 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 62.51 110.977 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.862 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.1 tm? -77.18 92.0 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 74.01 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.73 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.76 146.16 33.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 74.3 109.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -75.01 173.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 75.45 110.99 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -90.03 18.53 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.14 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -124.63 2.05 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.093 . . . . 71.32 109.281 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.73 HD13 HG12 ' A' ' 51' ' ' VAL . 5.5 tt -94.66 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 64.43 109.345 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.583 HG22 ' CD1' ' A' ' 90' ' ' LEU . 11.5 p -111.58 165.01 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.54 110.384 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -52.22 -39.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 65.33 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.498 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -42.88 -61.29 2.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 70.45 111.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.62 ' CB ' HD11 ' A' ' 55' ' ' LEU . 65.7 mm-40 -45.83 -49.34 15.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 70.54 110.278 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.403 ' C ' ' N ' ' A' ' 62' ' ' TYR . 10.1 t80 -49.69 -58.43 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 54.23 111.012 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.919 HG22 HG12 ' A' ' 78' ' ' ILE . 25.0 t -44.57 -28.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.53 109.353 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 66' ' ' LYS . 3.1 t80 -84.81 -44.21 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.45 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 t -52.76 -55.53 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 75.21 109.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.582 HG22 HD11 ' A' ' 68' ' ' ILE . 2.1 mp -54.25 -53.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 74.04 109.284 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' MET . 12.9 ttp85 -39.73 -32.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 71.1 110.332 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -80.48 -47.92 13.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 64.33 109.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.755 ' HB3' HG21 ' A' ' 44' ' ' ILE . 3.0 mpt_? -56.31 -28.87 60.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 74.31 110.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.772 HD12 HD12 ' A' ' 70' ' ' LEU . 1.3 pt -107.7 -11.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.12 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 21.0 ptp 41.4 50.71 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 75.44 110.953 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 68' ' ' ILE . 11.9 mt -64.51 163.97 23.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 74.24 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 157.42 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 65.33 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.77 10.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 64.41 111.031 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.85 -13.61 19.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 74.31 110.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -95.8 178.88 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 62.2 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.49 108.36 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 72.44 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.628 HD12 ' CD1' ' A' ' 68' ' ' ILE . 6.8 tt -95.53 154.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 74.4 109.298 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 80.7 m-85 -137.33 149.28 46.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 61.41 110.986 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.919 HG12 HG22 ' A' ' 61' ' ' VAL . 3.7 mm -100.1 158.87 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.04 109.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 1.072 ' CE2' HD12 ' A' ' 84' ' ' LEU . 14.6 m-85 -147.2 151.81 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 74.33 111.009 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.608 ' CG2' ' CE1' ' A' ' 98' ' ' HIS . 1.1 m -137.44 123.85 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 71.43 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 55.67 51.8 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 74.45 109.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t70 52.91 44.12 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 64.34 109.29 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.571 HG22 HG22 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -143.76 171.08 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 71.4 110.451 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.072 HD12 ' CE2' ' A' ' 79' ' ' PHE . 1.7 tt -128.14 95.2 34.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 70.43 109.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 169.13 23.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 72.04 110.968 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.37 40.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 74.54 110.976 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.498 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -82.11 -13.33 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 75.21 110.393 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.13 -22.6 26.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 73.42 109.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.597 ' HB1' ' CG1' ' A' ' 94' ' ' ILE . . . -48.82 139.65 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.43 109.285 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.583 ' CD1' HG22 ' A' ' 56' ' ' THR . 6.3 tp -91.57 131.57 36.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 64.53 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.7 mmm -60.25 -15.41 24.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 64.22 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 -43.38 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 65.4 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.54 -53.08 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 73.04 109.31 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.648 HG23 ' CD2' ' A' ' 98' ' ' HIS . 15.7 mm -46.2 -58.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 71.31 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 t80 -59.24 -31.97 69.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 72.11 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -70.08 -28.66 65.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 72.34 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.87 -0.58 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 75.42 110.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.648 ' CD2' HG23 ' A' ' 94' ' ' ILE . 84.8 m-70 -122.52 0.21 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 65.23 109.576 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -69.28 134.86 49.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 74.31 109.307 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.507 ' CG ' ' CE1' ' A' ' 106' ' ' TYR . 9.1 m-20 -102.62 179.23 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 70.23 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.42 109.257 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 11' ' ' PHE . 3.1 p30 -86.9 9.04 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 71.44 109.313 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.13 -67.87 0.87 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 74.32 110.957 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -46.89 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 75.44 110.954 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 95' ' ' TYR . 8.1 tp -113.37 165.07 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 65.13 109.34 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -133.2 119.01 19.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.24 110.994 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -136.01 164.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 75.44 109.298 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' GLU . 93.1 m -152.44 126.72 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 61.12 110.386 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.692 ' HE1' HD11 ' A' ' 41' ' ' ILE . 5.6 p90 -113.7 151.93 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 62.35 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.1 p -144.69 148.1 33.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.1 110.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -56.23 -17.01 16.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 75.33 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -104.86 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 75.32 110.304 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -92.55 23.7 3.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 64.44 109.249 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.487 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 2.5 p -100.37 156.74 17.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 73.03 110.424 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -79.8 -5.33 55.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 74.34 111.006 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 54.21 110.996 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tpp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.516 0.198 . . . . 73.01 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -79.25 -72.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 75.43 109.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 t -61.24 114.29 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 73.13 110.055 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' SER . 2.8 p -94.99 -0.73 53.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 74.52 110.4 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -37.75 -32.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 51.11 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 4' ' ' THR . 1.8 ttpm? -68.12 -54.1 20.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 71.25 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' THR . 72.0 m -84.31 -67.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 63.25 109.982 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.593 ' OE2' ' CD2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -39.01 -53.37 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.23 110.252 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.593 ' CD2' ' OE2' ' A' ' 8' ' ' GLU . 6.8 m-85 -107.59 155.8 39.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 73.43 110.999 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.3 18.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 61.04 110.992 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 12' ' ' GLU . 23.9 p90 -88.17 -37.04 16.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 73.12 110.973 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 11' ' ' PHE . 11.1 mt-10 -53.95 -26.17 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 74.34 110.257 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -60.36 -68.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 74.51 109.287 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 9.6 mmm180 -55.73 -19.56 11.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.43 110.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -66.23 -49.29 67.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 71.53 109.29 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.97 -42.12 71.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 75.04 109.301 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -67.97 -19.76 64.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 74.24 110.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -87.43 -36.32 17.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 73.04 110.046 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 61.52 110.237 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -82.42 -44.0 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 64.14 110.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.417 ' CG2' ' HG3' ' A' ' 30' ' ' PRO . 35.8 mt -65.93 -31.52 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 71.13 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 26' ' ' PRO . . . -82.88 -43.14 16.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 44.52 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.92 -47.58 80.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 72.35 109.289 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -79.73 -46.93 16.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 74.14 110.345 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 2.4 m-85 -130.46 77.13 76.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 64.21 111.006 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 18.4 Cg_endo -74.95 -0.88 10.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 75.43 111.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.17 22.17 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 72.34 109.299 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.465 ' HB3' HD11 ' A' ' 50' ' ' LEU . 13.9 mmt180 -118.01 -177.91 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 73.14 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.628 HG23 ' CD2' ' A' ' 95' ' ' TYR . 2.8 mt -141.96 92.91 7.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 70.25 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.56 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 18.4 Cg_endo -74.95 103.58 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 73.21 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 105' ' ' LEU . 3.8 t -101.21 152.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 65.33 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 47' ' ' ARG . 2.0 mm -122.58 92.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 65.43 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -85.26 127.21 34.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 72.11 108.304 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -112.85 148.17 35.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 74.41 110.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 143.13 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 75.33 109.258 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.669 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -108.75 109.0 20.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 72.12 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -49.98 -41.75 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.42 110.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 27.0 mttp -44.53 -36.75 3.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 71.12 109.286 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -68.22 173.85 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.32 110.043 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -119.99 1.01 10.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 74.14 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.972 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -74.08 163.12 70.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 61.1 109.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.21 36.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 51.12 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 64.42 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 68' ' ' ILE . 4.8 pt -113.09 -172.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 61.4 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -76.47 -57.52 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 72.44 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 -172.96 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 74.15 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.648 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -116.2 106.18 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 74.45 110.301 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -158.6 103.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 72.32 109.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 6.0 m-85 -126.69 133.73 50.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 53.42 110.983 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 28' ' ' ARG . 13.7 tp -131.34 100.96 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 52.24 109.263 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.77 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -112.55 154.66 44.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 71.13 109.344 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.13 15.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.475 1.776 . . . . 72.34 110.991 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.76 18.33 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 61.2 109.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -124.63 2.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 62.22 109.251 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.77 HD13 HG12 ' A' ' 51' ' ' VAL . 4.8 tt -94.25 155.88 16.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 65.41 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.475 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 16.4 p -108.89 164.37 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 63.41 110.431 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.7 t -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 61.01 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.23 -57.6 2.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 72.42 111.008 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.463 ' HB2' HD11 ' A' ' 55' ' ' LEU . 42.5 mm-40 -45.38 -46.6 13.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 74.55 110.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.604 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 19.3 t80 -52.78 -50.0 64.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.32 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.932 HG22 HG12 ' A' ' 78' ' ' ILE . 16.2 t -48.77 -30.9 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 61.2 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 2.4 t80 -82.86 -31.61 27.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 64.54 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 t -58.31 -50.91 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 54.43 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.655 HG22 HD11 ' A' ' 68' ' ' ILE . 2.2 mp -59.63 -51.23 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.13 109.287 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' MET . 31.5 ttm-85 -42.42 -29.04 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.142 . . . . 65.55 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -79.3 -46.16 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 71.15 109.326 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.54 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -58.6 -31.06 67.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.44 110.281 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.136 HD12 HD22 ' A' ' 70' ' ' LEU . 1.4 pt -107.21 -5.12 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.42 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 20.0 ptp 41.68 48.93 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 62.34 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.136 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -73.76 156.52 88.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 53.22 109.268 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.491 1.785 . . . . 75.12 111.0 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.26 9.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 62.1 111.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -95.08 -35.93 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 71.43 110.275 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.02 177.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.32 109.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.41 109.03 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 52.32 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.683 HD13 HD11 ' A' ' 68' ' ' ILE . 2.5 tt -108.08 142.61 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.33 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.719 ' C ' HD13 ' A' ' 78' ' ' ILE . 60.8 m-85 -123.0 139.9 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 74.34 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.932 HG12 HG22 ' A' ' 61' ' ' VAL . 1.4 mm -96.1 131.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 64.13 109.288 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 84' ' ' LEU . 54.4 m-85 -126.25 117.66 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.15 111.001 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.58 HG12 HG22 ' A' ' 83' ' ' THR . 1.3 p -110.75 131.63 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 60.52 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.51 HD22 HG22 ' A' ' 80' ' ' VAL . 3.1 m-80 45.44 64.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 51.31 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 40.49 36.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 72.14 109.282 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -136.27 179.09 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 53.31 110.369 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.855 HD13 ' CE1' ' A' ' 79' ' ' PHE . 2.9 tp -139.72 99.69 7.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 61.25 109.332 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 164.08 34.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 63.12 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.02 162.14 37.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 63.44 110.967 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -79.65 -0.9 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 63.04 110.388 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.5 -30.58 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 60.04 109.355 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -42.13 142.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 61.02 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 90' ' ' LEU . 7.2 tp -94.52 136.57 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 61.14 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.511 ' O ' HD13 ' A' ' 29' ' ' ILE . 72.3 mmm -61.99 -12.63 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.44 110.991 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -78.75 -49.76 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 73.45 110.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.74 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 74.51 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.498 HG23 ' CD2' ' A' ' 98' ' ' HIS . 17.3 mm -63.22 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 64.53 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.697 ' CD2' HD13 ' A' ' 105' ' ' LEU . 3.0 t80 -56.16 -21.9 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 73.42 111.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.63 -38.38 86.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 72.01 110.235 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -110.87 -0.73 16.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 72.12 110.287 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.518 ' CE1' HG13 ' A' ' 80' ' ' VAL . 92.8 m-70 -119.33 27.27 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 53.2 109.557 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -101.67 131.74 47.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 74.32 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -90.47 179.97 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 54.4 109.333 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -63.94 -15.54 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 70.5 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -92.96 -15.21 26.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 74.12 109.294 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.51 -51.4 1.38 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.471 1.107 . . . . 35.44 110.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 30' ' ' PRO . 2.3 m-85 -46.15 172.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 72.41 110.991 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.697 HD13 ' CD2' ' A' ' 95' ' ' TYR . 2.8 mp -113.98 155.87 25.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 52.52 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -125.24 105.62 9.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 72.25 110.976 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.505 HG21 ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -132.65 160.94 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.23 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.669 HG22 ' HB2' ' A' ' 36' ' ' ALA . 6.3 m -143.94 130.85 20.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 63.15 110.385 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.972 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.7 p90 -101.5 152.67 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 71.32 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.5 p -158.57 123.62 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 33.12 109.999 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -45.46 -24.96 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 41.21 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.09 159.73 15.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 70.04 110.299 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -96.33 69.61 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 64.41 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.546 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 3.3 p -125.91 149.13 48.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 53.22 110.382 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -92.71 -2.63 55.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 71.51 111.0 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 43.21 110.973 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.449 0.166 . . . . 64.54 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -123.78 -46.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 74.01 109.266 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 p -134.1 90.47 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 64.51 109.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.0 p -93.91 -26.88 16.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 73.33 110.42 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.587 ' CE2' ' CD ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -57.42 -23.21 48.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 73.2 111.005 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -59.98 -57.69 11.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 74.44 109.276 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' TYR . 2.2 t -94.73 -60.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 73.34 109.991 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 4' ' ' THR . 6.5 tt0 -38.7 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 64.43 110.355 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' SER . 1.4 m-85 -130.74 97.5 21.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 74.44 111.062 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.65 34.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.554 1.818 . . . . 74.54 111.032 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CE1' ' OD2' ' A' ' 102' ' ' ASP . 59.3 t80 -54.35 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.3 111.018 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 21.6 tt0 -37.77 -60.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.31 110.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -42.43 -63.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 43.43 109.316 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 85.8 mtm180 -45.44 -57.42 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.15 110.298 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -48.03 -32.89 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 72.42 109.335 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -68.71 -39.06 80.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 55.35 109.278 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.965 ' O ' HD12 ' A' ' 21' ' ' ILE . 12.0 tt0 -58.17 -26.87 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 64.4 110.243 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -87.59 -21.07 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 53.53 109.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.05 -38.76 69.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 63.31 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 10.3 ptt85 -74.58 -43.56 55.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 71.13 110.297 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.965 HD12 ' O ' ' A' ' 17' ' ' GLU . 1.8 mt -60.94 -21.22 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 61.13 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.12 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 52.22 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.2 -14.91 34.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 73.31 109.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.588 ' CG ' ' CE2' ' A' ' 25' ' ' PHE . 8.6 tpt180 -101.57 -61.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 75.1 110.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CE2' ' CG ' ' A' ' 24' ' ' ARG . 1.6 m-85 -136.97 89.99 16.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 75.31 111.012 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.67 10.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.32 110.993 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -107.17 12.23 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 62.32 109.268 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -100.1 175.53 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 63.12 110.324 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.668 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.0 mt -136.11 96.44 12.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 75.4 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HB3' HD13 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.01 82.4 2.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 51.04 110.989 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.825 ' CG2' HD13 ' A' ' 105' ' ' LEU . 2.0 t -87.86 129.77 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 54.14 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -110.3 107.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.33 109.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -95.72 129.22 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 64.11 108.269 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.982 ' O ' HG23 ' A' ' 108' ' ' THR . 23.9 mt-10 -113.7 118.35 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 73.34 110.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.15 133.75 56.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 54.51 109.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -66.52 119.52 11.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 73.25 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -45.78 -39.62 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 75.4 110.264 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' SER . 28.8 mttm -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 74.31 109.294 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -39.47 134.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 72.3 109.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -96.95 27.69 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 74.4 109.336 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.504 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.6 OUTLIER -99.95 162.19 21.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 74.15 109.314 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.39 17.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 64.43 110.985 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.72 170.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.14 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 68' ' ' ILE . 4.3 pt -119.21 173.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 63.45 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.72 -61.82 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 52.55 109.293 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -146.75 163.45 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 74.54 109.285 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.458 ' O ' HD11 ' A' ' 32' ' ' ILE . 52.0 mtt85 -101.75 101.19 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 62.33 110.301 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.56 133.18 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 65.13 109.329 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.456 ' CE2' ' CB ' ' A' ' 33' ' ' CYS . 89.9 m-85 -145.95 93.85 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 72.22 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -89.8 96.52 10.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 73.01 109.34 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.965 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.82 151.84 43.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 41.43 109.259 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.12 15.06 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 74.44 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.668 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -87.21 14.15 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 51.41 109.319 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -124.4 7.25 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 74.42 109.331 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.965 HD13 HG12 ' A' ' 51' ' ' VAL . 5.9 tt -96.65 155.2 16.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.31 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 p -108.78 154.92 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.02 110.387 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 61' ' ' VAL . 97.8 t -49.33 -38.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 61.54 109.321 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.485 ' CA ' ' OG1' ' A' ' 87' ' ' THR . . . -40.18 -48.7 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 71.12 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 62' ' ' TYR . 22.3 mm-40 -64.83 -49.32 71.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 75.23 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 31' ' ' VAL . 1.4 t80 -48.2 -51.59 24.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 75.22 111.039 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.772 HG22 HG13 ' A' ' 78' ' ' ILE . 3.8 t -62.58 -21.68 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 62.34 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -77.57 -61.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.44 111.044 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 60' ' ' PHE . 4.0 m -40.4 -43.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 70.3 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.631 HD11 ' CE1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -56.25 -57.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 75.54 109.3 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -47.24 -24.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 52.52 110.317 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.5 -45.21 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 75.43 109.241 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.549 ' HB3' HG21 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -57.93 -26.41 62.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 75.41 110.278 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.111 HD12 HD22 ' A' ' 70' ' ' LEU . 1.3 pt -111.23 -10.69 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 50.21 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 14.6 ptp 42.38 45.95 3.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.12 111.037 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.111 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -66.29 160.61 64.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 60.23 109.266 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 168.37 24.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.807 . . . . 75.1 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.08 9.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 72.02 110.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.57 -35.28 11.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.42 110.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -64.13 166.77 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 72.42 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.18 112.14 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 51.22 109.273 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.529 ' CD1' HD11 ' A' ' 68' ' ' ILE . 2.2 tt -104.19 165.02 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.13 109.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -156.59 141.02 16.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 71.24 111.02 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.772 HG13 HG22 ' A' ' 61' ' ' VAL . 9.3 mm -88.56 160.62 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 70.43 109.251 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 84' ' ' LEU . 65.1 m-85 -149.39 116.08 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.14 111.001 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.671 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.4 m -116.85 126.28 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 63.13 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 50.64 57.8 6.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 65.23 109.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 44.89 47.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 73.21 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.647 HG22 HG22 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -140.11 -173.5 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 61.4 110.397 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.646 ' N ' HG23 ' A' ' 83' ' ' THR . 0.4 OUTLIER -144.0 95.0 5.75 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 62.22 109.283 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.59 42.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 64.34 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 72.34 111.025 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.485 ' OG1' ' CA ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -86.06 -9.99 55.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 75.43 110.353 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.59 16.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 64.33 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -40.97 140.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 64.42 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.8 tp -90.1 134.36 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 74.45 109.262 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.608 ' CB ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -60.9 -17.27 49.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 74.34 111.009 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -73.27 -48.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 72.52 109.972 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -40.82 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 53.21 109.281 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.565 HG23 ' CD2' ' A' ' 98' ' ' HIS . 19.4 mm -54.84 -57.0 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 65.22 109.263 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.792 ' HB2' HD11 ' A' ' 105' ' ' LEU . 2.8 t80 -62.88 -31.78 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.43 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -67.78 -26.91 66.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 63.4 110.263 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -110.98 -1.44 16.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 70.21 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.775 ' O ' HD23 ' A' ' 105' ' ' LEU . 96.5 m-70 -126.19 19.47 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 44.24 109.565 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -84.47 137.37 33.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 74.24 109.276 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.61 179.94 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 64.13 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.0 -61.97 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 72.23 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.591 ' OD2' ' CE1' ' A' ' 11' ' ' PHE . 18.5 m-20 -47.71 -46.22 29.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 65.03 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 3.86 9.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.536 1.147 . . . . 62.42 110.974 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -94.19 132.94 38.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 74.43 110.99 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.825 HD13 ' CG2' ' A' ' 31' ' ' VAL . 6.0 mt -79.74 149.41 31.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.41 109.268 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 104' ' ' PHE . 98.3 m-85 -133.58 116.17 15.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 72.42 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.545 ' CG1' HG13 ' A' ' 31' ' ' VAL . 2.1 p -140.94 165.63 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 73.14 109.306 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.982 HG23 ' O ' ' A' ' 34' ' ' GLU . 3.5 m -144.87 139.91 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 73.35 110.359 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.504 ' CE2' HD11 ' A' ' 41' ' ' ILE . 14.3 p90 -126.69 152.72 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.24 111.046 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.0 t -144.41 169.26 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 71.15 109.984 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.63 21.78 24.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 73.54 111.044 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -147.3 157.35 43.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 53.55 110.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.411 ' ND2' HD13 ' A' ' 84' ' ' LEU . 2.3 t-20 -93.92 70.58 4.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 74.3 109.29 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.481 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 4.2 p -143.16 147.75 35.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 61.34 110.376 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -94.36 0.27 55.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 73.13 110.993 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 53.11 111.018 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.528 0.204 . . . . 62.51 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -64.45 -69.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 64.54 109.303 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.432 ' HB3' ' CE1' ' A' ' 5' ' ' PHE . 9.3 t -103.38 158.06 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 72.13 109.981 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 p -107.79 -19.22 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 71.42 110.413 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -43.73 -26.53 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 62.02 110.969 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HG2' ' CE1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -59.44 -68.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 73.22 109.287 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 9' ' ' TYR . 33.7 t -84.61 -59.56 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 54.35 110.037 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -38.92 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 62.4 110.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' SER . 2.9 m-85 -136.09 89.83 19.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 75.13 111.025 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.18 39.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.542 1.812 . . . . 74.42 110.955 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CE1' ' CG ' ' A' ' 102' ' ' ASP . 0.5 OUTLIER -52.7 -66.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 70.24 111.02 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -38.95 -45.45 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 72.34 110.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -57.65 -70.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 74.34 109.294 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.42 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 25.3 mtt-85 -40.02 -58.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 75.11 110.335 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -41.59 -42.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 72.11 109.343 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -65.75 -60.21 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.11 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' OE1' ' NZ ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -39.65 -43.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 74.12 110.334 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -63.44 -46.6 85.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.02 109.965 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' ALA . 7.4 mm-40 -50.96 -27.16 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 61.14 110.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -79.47 -50.85 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.795 HG21 ' HG3' ' A' ' 30' ' ' PRO . 19.3 mt -60.33 -24.83 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 72.2 109.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.51 -26.77 34.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 54.14 109.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -90.2 -15.03 32.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 71.52 109.246 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -105.72 -62.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 72.01 110.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 6.3 m-85 -121.95 76.29 39.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 71.13 111.027 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 74.25 110.977 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -102.84 14.34 32.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 63.42 109.256 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.4 mmt-85 -115.49 -177.93 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 75.13 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' VAL . 33.9 mt -147.69 91.44 4.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.21 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.795 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.95 100.9 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 73.23 111.03 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -85.54 163.85 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 65.4 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.935 ' CG2' HH21 ' A' ' 47' ' ' ARG . 18.5 mm -133.64 92.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 71.23 109.289 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 107' ' ' VAL . 1.7 m -93.26 157.37 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 51.14 108.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.907 ' O ' HG23 ' A' ' 108' ' ' THR . 1.7 pt-20 -146.72 118.85 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 71.21 110.3 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.805 ' HG2' HD11 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -57.12 132.56 53.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 71.54 109.327 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.534 ' HB3' ' OG ' ' A' ' 39' ' ' SER . . . -78.94 109.91 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 72.43 109.272 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 15.6 pt-20 -42.62 -47.86 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 71.32 110.316 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.36 -47.07 9.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 74.2 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -49.26 170.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 53.0 109.978 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.32 15.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.11 109.304 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.805 HD11 ' HG2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -72.68 160.41 82.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 70.13 109.276 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.569 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.0 126.88 10.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 74.31 110.985 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.66 158.38 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 61.43 110.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.812 ' CG2' HG23 ' A' ' 68' ' ' ILE . 47.4 pt -111.56 -174.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 71.2 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -82.48 -53.06 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 73.25 109.289 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -151.57 173.18 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.12 109.319 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.935 HH21 ' CG2' ' A' ' 32' ' ' ILE . 2.1 ptm180 -117.8 101.31 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 65.11 110.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 127.16 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 73.24 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.797 ' HB2' HG12 ' A' ' 31' ' ' VAL . 75.8 m-85 -145.15 98.7 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 74.53 110.971 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD21 HD13 ' A' ' 21' ' ' ILE . 11.8 mt -88.2 97.14 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 73.53 109.308 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.945 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.44 150.31 40.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 71.41 109.277 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.6 14.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 74.32 110.986 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HB1' ' OG ' ' A' ' 92' ' ' SER . . . -88.5 17.54 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 53.42 109.314 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -124.62 1.9 8.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 64.23 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.945 HD13 HG12 ' A' ' 51' ' ' VAL . 6.9 tt -89.93 156.34 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 74.42 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.3 p -108.05 159.59 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 52.35 110.398 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' PHE . 92.0 t -54.04 -47.37 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 55.33 109.324 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -39.05 -56.22 2.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 73.35 111.004 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -49.27 -41.6 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 72.34 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.767 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 2.7 t80 -56.23 -60.47 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 73.53 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.7 t -40.68 -29.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 52.44 109.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.446 ' N ' ' C ' ' A' ' 60' ' ' PHE . 10.6 t80 -86.05 -43.43 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 70.12 111.037 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.558 HG12 ' CD1' ' A' ' 49' ' ' TYR . 15.4 t -55.5 -38.02 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 55.25 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' A' ' 60' ' ' PHE . 3.6 mp -68.47 -57.83 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 65.12 109.301 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 72' ' ' PRO . 24.8 ttp180 -39.01 -29.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 74.12 110.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -73.62 -53.12 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 61.25 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.611 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -51.31 -21.11 1.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.431 1.082 . . . . 74.24 110.28 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.993 HD12 HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -108.13 -21.16 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 44.51 109.284 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ARG . 1.1 mtt 68.52 27.08 6.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.51 110.969 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.993 HD22 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -64.05 156.12 75.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 75.33 109.316 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.54 20.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 53.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 18.3 Cg_endo -75.03 -3.24 13.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.821 . . . . 74.54 111.017 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -91.63 -35.28 14.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.41 110.279 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 172.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 71.34 109.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.31 106.06 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 40.3 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.757 HD12 ' CD1' ' A' ' 68' ' ' ILE . 2.8 tt -100.33 132.2 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 73.12 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 112' ' ' GLU . 23.6 m-85 -105.56 146.71 29.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 51.01 110.994 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.54 HG22 ' CG2' ' A' ' 107' ' ' VAL . 3.4 mm -109.43 139.41 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 54.21 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 94.6 m-85 -124.99 111.24 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.13 110.946 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.712 ' O ' HG22 ' A' ' 83' ' ' THR . 41.2 t -98.49 121.71 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 71.44 109.316 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' VAL . 9.6 m-80 40.35 53.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.13 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 56.04 43.85 26.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.42 109.274 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -142.18 155.73 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 63.34 110.399 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.527 HD13 ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -127.48 92.27 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 75.25 109.31 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.93 25.95 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.463 1.77 . . . . 74.32 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.09 173.2 14.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.536 1.809 . . . . 51.13 110.983 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.63 -11.27 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.03 110.377 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -26.71 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 53.13 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.476 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . . . -45.96 139.66 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.31 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -88.96 137.12 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 65.21 109.292 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 81.2 mmm -66.4 -9.31 32.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 63.23 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.437 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 7.9 t -86.31 -43.11 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 72.05 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.97 -28.39 32.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 72.24 109.29 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 94' ' ' ILE . 15.7 mm -70.01 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.52 109.292 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 1.8 t80 -58.33 -25.46 61.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 61.45 111.03 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -71.1 -35.67 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 64.53 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -99.43 -1.89 37.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 72.13 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.418 ' O ' HD12 ' A' ' 105' ' ' LEU . 30.1 m-70 -126.06 10.76 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.12 109.594 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.17 134.45 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 72.11 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -78.3 178.57 7.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 73.35 109.242 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -80.02 -15.52 57.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 72.43 109.293 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.485 ' CG ' ' CE1' ' A' ' 11' ' ' PHE . 5.5 m-20 -104.43 10.73 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.01 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.81 -59.84 3.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 63.24 111.019 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CD1' ' CG1' ' A' ' 32' ' ' ILE . 1.5 m-85 -44.15 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 74.54 111.029 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 95' ' ' TYR . 8.1 tp -115.05 122.12 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 75.45 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.0 114.75 27.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 72.41 110.977 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -140.56 159.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 53.13 109.31 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.907 HG23 ' O ' ' A' ' 34' ' ' GLU . 52.6 m -143.9 125.69 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.02 110.368 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 5.5 p90 -107.4 155.63 19.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 71.43 111.005 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.4 t -151.85 133.28 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 62.43 109.977 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.432 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -48.41 -25.9 4.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 62.53 111.036 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 17.1 pt-20 -91.21 -179.48 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 65.35 110.306 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 10.8 t-20 -119.6 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 51.12 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.59 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 5.0 p -102.82 130.02 49.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 63.42 110.394 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.417 ' CZ ' HD22 ' A' ' 84' ' ' LEU . 17.2 m-85 -98.94 4.53 47.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 75.11 110.997 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.556 1.16 . . . . 71.5 111.018 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.53 0.205 . . . . 53.11 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -83.4 -71.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 75.3 109.245 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.557 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 84.9 p -133.95 93.92 3.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 24.34 109.996 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 7' ' ' SER . 2.3 p -81.46 -22.75 37.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 51.02 110.392 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 3' ' ' SER . 0.7 OUTLIER -41.86 -27.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 74.32 110.951 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 14.1 tppt? -68.65 -48.65 63.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 64.12 109.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' THR . 28.9 t -92.55 -64.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 54.5 110.011 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' THR . 10.0 tp10 -38.8 -42.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 30.35 110.267 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -125.76 159.41 61.31 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 64.23 111.003 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.31 33.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 53.35 110.965 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -81.61 -15.39 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 74.44 110.938 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -85.79 -16.23 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 61.3 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -58.26 -42.42 86.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.53 109.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -88.51 -31.46 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 73.42 110.305 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -64.97 -24.46 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.33 109.271 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.7 -52.43 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.05 109.321 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -54.53 -33.77 60.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 72.42 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -69.77 -42.7 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.01 109.983 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -50.33 -33.69 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.33 110.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -79.31 -52.69 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 73.41 110.235 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.678 HG21 ' HG3' ' A' ' 30' ' ' PRO . 15.9 mt -58.37 -21.4 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 71.13 109.284 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.43 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 70.31 109.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.84 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 75.53 109.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 27.3 tpt180 -99.61 -58.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 72.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.496 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 10.8 m-85 -122.78 75.12 46.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 65.44 110.982 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 75.02 110.994 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -104.76 -6.09 20.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 75.53 109.301 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 71.2 mmt-85 -93.82 -177.9 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 73.4 110.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.831 HG23 ' CD2' ' A' ' 95' ' ' TYR . 23.2 mt -148.51 92.56 4.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 73.04 109.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.678 ' HG3' HG21 ' A' ' 21' ' ' ILE . 18.1 Cg_endo -75.06 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 71.52 110.97 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.628 HG12 ' HB2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -85.67 160.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 55.32 109.257 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 104' ' ' PHE . 7.7 mm -135.55 92.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 64.43 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.3 p -94.56 155.33 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 55.11 108.255 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.008 ' O ' HG23 ' A' ' 108' ' ' THR . 9.6 mt-10 -140.56 120.77 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 71.54 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 0.5 OUTLIER -58.42 134.77 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 54.32 109.349 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.34 121.92 18.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 74.43 109.296 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.3 pt-20 -56.77 -42.47 79.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 43.14 110.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -58.78 -24.52 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 72.14 109.269 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.426 ' OG ' HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -60.24 176.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.45 109.988 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -133.01 15.1 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 64.53 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.594 HD11 ' HE1' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -81.4 163.17 55.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 73.02 109.288 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.491 ' O ' HG22 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -74.98 123.25 7.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 75.25 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.32 170.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 74.11 110.284 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.635 HG21 ' HB3' ' A' ' 67' ' ' ARG . 7.9 pt -117.74 -174.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 73.01 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -77.15 -57.1 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 74.52 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -151.61 169.24 22.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.22 109.328 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -108.77 101.73 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 53.35 110.268 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -159.07 109.51 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 74.13 109.289 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.729 ' CE1' HG12 ' A' ' 63' ' ' VAL . 33.2 m-85 -133.6 93.84 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 60.23 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 5.8 tp -84.1 98.03 9.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 61.31 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.724 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -110.23 155.17 42.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 61.14 109.296 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.57 14.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 45.31 111.058 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 92' ' ' SER . . . -88.71 18.33 4.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 55.2 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -119.29 -4.16 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.42 109.325 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.724 HD13 ' CG1' ' A' ' 51' ' ' VAL . 8.3 tt -85.64 158.53 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.1 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 90' ' ' LEU . 11.6 p -118.61 156.1 29.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 44.34 110.427 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 61' ' ' VAL . 50.9 t -43.6 -48.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 64.51 109.305 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -38.98 -62.18 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 71.34 111.03 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.31 -58.76 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 74.45 110.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 64' ' ' ILE . 29.0 t80 -45.59 -53.66 8.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 73.53 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 57' ' ' VAL . 28.9 t -42.92 -35.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 75.11 109.33 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.4 -42.0 21.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 54.3 110.979 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.729 HG12 ' CE1' ' A' ' 49' ' ' TYR . 3.3 t -46.11 -45.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 65.01 109.265 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 60' ' ' PHE . 1.9 mp -66.02 -49.94 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 73.52 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 1.018 HH21 HG22 ' A' ' 76' ' ' ILE . 13.6 ttm180 -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 74.34 110.285 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 75.24 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.635 ' HB3' HG21 ' A' ' 44' ' ' ILE . 2.1 mmp_? -55.77 -30.9 62.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 71.41 110.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.007 HD12 HD22 ' A' ' 70' ' ' LEU . 1.9 pt -102.99 -12.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 70.14 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 17.7 ptp 41.39 49.59 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 63.04 110.968 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.007 HD22 HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -70.08 157.19 90.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.53 109.272 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.52 22.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 64.23 110.962 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.37 11.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 74.13 111.022 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.55 -27.8 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 73.41 110.317 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 177.88 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.54 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.16 106.58 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 64.52 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.018 HG22 HH21 ' A' ' 65' ' ' ARG . 5.1 tt -108.07 164.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.14 109.342 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.429 ' CE2' ' ND2' ' A' ' 113' ' ' ASN . 79.6 m-85 -153.63 136.69 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 71.15 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.623 HG12 HG22 ' A' ' 61' ' ' VAL . 3.0 mm -93.56 145.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.31 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 114' ' ' THR . 3.2 m-85 -129.99 133.45 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 62.34 110.991 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.636 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 p -117.13 132.56 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 71.41 109.298 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 49.56 48.43 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 62.05 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.31 29.27 14.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.04 109.319 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.669 HG23 ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -130.33 -173.5 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 72.31 110.4 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.669 ' N ' HG23 ' A' ' 83' ' ' THR . 0.2 OUTLIER -133.74 100.65 13.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.14 109.293 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 18.4 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.79 . . . . 72.11 111.016 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.7 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.05 161.61 38.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 62.4 110.963 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 87' ' ' THR . 0.7 OUTLIER -84.99 4.39 34.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 63.22 110.366 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.71 -16.71 13.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 64.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.7 ' HB2' ' HG2' ' A' ' 86' ' ' PRO . . . -58.0 144.75 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 63.2 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.638 HD12 HG22 ' A' ' 56' ' ' THR . 5.8 tp -95.14 130.7 41.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 61.55 109.25 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 87.6 mmm -58.35 -15.83 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 64.21 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.581 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 85.3 p -74.13 -49.35 24.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.32 110.034 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.42 65.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 75.14 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 98' ' ' HIS . 17.4 mm -68.03 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 71.25 109.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.831 ' CD2' HG23 ' A' ' 29' ' ' ILE . 2.3 t80 -58.8 -16.33 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 71.41 110.98 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -74.89 -36.27 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.45 110.305 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.82 -0.8 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 64.51 110.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' ILE . 47.4 m-70 -116.66 19.75 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 73.45 109.596 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 127.52 35.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 52.32 109.3 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.34 179.82 4.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.43 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -65.39 -31.75 73.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.14 109.284 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.77 -19.2 64.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 74.44 109.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.19 -7.27 82.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 75.05 110.957 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CD1' HG13 ' A' ' 32' ' ' ILE . 2.1 m-85 -97.19 177.81 5.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 72.33 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.667 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -106.48 154.9 20.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 44.53 109.305 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -121.15 103.75 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 75.11 111.023 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.558 ' CG2' HG22 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -135.09 163.83 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 72.22 109.302 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 1.008 HG23 ' O ' ' A' ' 34' ' ' GLU . 55.2 m -153.9 118.31 4.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 74.22 110.401 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.594 ' HE1' HD11 ' A' ' 41' ' ' ILE . 19.7 p90 -101.56 155.14 18.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 75.21 111.005 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.452 ' O ' ' CG1' ' A' ' 76' ' ' ILE . 4.1 t -154.68 169.74 23.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 60.25 109.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.09 -2.5 90.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.555 1.159 . . . . 74.21 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 114' ' ' THR . 12.3 tp10 -105.99 166.56 10.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 72.41 110.336 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.429 ' ND2' ' CE2' ' A' ' 77' ' ' PHE . 26.4 t-20 -103.96 54.88 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 62.25 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 2.8 p -108.98 170.88 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 73.4 110.371 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -91.46 -5.28 54.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 75.13 110.988 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 71.03 110.994 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.499 0.19 . . . . 73.52 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -46.93 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 72.45 109.322 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -128.13 94.71 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 60.24 109.965 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' GLU . 3.0 p -54.31 -38.32 65.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 75.55 110.445 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -49.65 -23.96 1.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 75.43 111.039 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 74.24 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -100.35 -45.72 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 74.21 109.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' THR . 5.8 tp10 -39.72 -47.59 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 54.01 110.318 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -116.88 159.07 42.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 71.04 111.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 167.57 26.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 75.04 110.984 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' A' ' 102' ' ' ASP . 0.8 OUTLIER -82.2 -38.17 24.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 54.1 110.982 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -61.88 -15.51 43.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 70.32 110.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -49.13 23.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 72.13 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -66.46 -20.49 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.11 110.278 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -84.17 -41.41 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 73.12 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.52 84.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 75.42 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 7.1 pt-20 -64.06 -34.12 77.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.31 110.236 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -84.9 -11.27 55.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.25 110.001 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' LYS . 4.3 mm-40 -79.93 -35.8 37.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 74.51 110.272 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 21' ' ' ILE . 1.9 ptp180 -77.81 -43.36 30.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 75.3 110.325 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 4.5 mt -70.15 -18.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 52.34 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 18' ' ' SER . . . -85.44 -44.54 12.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 75.13 109.331 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.67 -42.21 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 75.13 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.52 -55.02 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 70.14 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 1.8 m-85 -134.11 83.22 45.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 74.35 111.004 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.13 9.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 75.34 110.988 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.7 m-80 -96.93 -5.68 37.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 71.54 109.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.806 ' HG3' HD11 ' A' ' 50' ' ' LEU . 9.2 mmp_? -89.23 -177.97 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 73.24 110.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 53' ' ' ALA . 4.3 mt -147.49 91.48 5.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 73.41 109.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' O ' ' CD2' ' A' ' 104' ' ' PHE . 18.5 Cg_endo -74.94 86.63 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 73.41 110.988 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.648 HG13 ' HB3' ' A' ' 105' ' ' LEU . 44.9 t -85.71 145.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 73.44 109.341 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 47' ' ' ARG . 1.7 mm -111.95 91.9 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.34 109.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -70.52 157.07 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 71.11 108.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.549 ' OE2' HG22 ' A' ' 32' ' ' ILE . 12.8 mp0 -126.13 156.91 39.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 75.23 110.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.697 ' HZ2' ' C ' ' A' ' 42' ' ' PRO . 4.0 tptm -97.5 132.42 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 65.24 109.304 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.59 107.91 20.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 75.1 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 12.4 pt-20 -69.06 -43.65 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 65.51 110.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 5.5 mmmt -45.53 -31.53 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.45 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t -72.99 169.55 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 73.05 109.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.14 32.36 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 62.53 109.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -108.59 153.7 42.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 71.13 109.255 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.697 ' C ' ' HZ2' ' A' ' 35' ' ' LYS . 18.1 Cg_endo -75.06 161.54 38.43 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 74.4 110.958 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' N ' ' HZ2' ' A' ' 35' ' ' LYS . 19.5 tt0 -79.2 167.64 20.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 72.42 110.338 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 68' ' ' ILE . 6.7 pt -111.06 179.24 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 74.31 109.333 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -78.29 -52.13 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 61.15 109.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -156.62 -174.32 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 70.14 109.336 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.718 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -120.73 103.95 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 73.31 110.306 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -158.81 111.18 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 62.4 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 33' ' ' CYS . 69.6 m-85 -136.75 94.97 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 72.31 111.022 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.806 HD11 ' HG3' ' A' ' 28' ' ' ARG . 1.7 tm? -88.56 93.43 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 70.22 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.702 HG12 HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -111.9 153.7 44.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 72.13 109.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 71.33 110.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 29' ' ' ILE . . . -90.25 19.1 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.34 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -124.49 1.97 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 73.01 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.702 HD13 HG12 ' A' ' 51' ' ' VAL . 5.5 tt -92.21 155.47 17.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 53.1 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 13.4 p -105.1 160.73 14.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 73.33 110.377 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 61' ' ' VAL . 89.6 t -51.16 -43.53 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 75.43 109.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.18 -63.44 2.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 70.24 110.992 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.526 ' HB2' HD11 ' A' ' 55' ' ' LEU . 9.7 mm100 -44.76 -47.89 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 64.35 110.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CE2' HD11 ' A' ' 64' ' ' ILE . 16.3 t80 -59.6 -40.73 88.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 74.51 111.0 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.964 HG22 HG13 ' A' ' 78' ' ' ILE . 14.8 t -60.07 -16.58 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 72.3 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.4 ' HD1' HH21 ' A' ' 65' ' ' ARG . 1.2 t80 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 75.21 111.013 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.18 -38.52 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.33 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' CE2' ' A' ' 60' ' ' PHE . 1.7 mp -69.23 -46.93 76.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 73.33 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 13.4 ttp180 -54.3 -18.83 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 64.01 110.301 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -50.48 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 73.23 109.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.531 ' HB3' HG22 ' A' ' 44' ' ' ILE . 3.5 mmp_? -54.05 -27.2 30.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.55 110.348 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.973 HD12 HD12 ' A' ' 70' ' ' LEU . 1.2 pt -108.0 -15.17 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 71.15 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 19.9 ptp 41.35 50.37 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 73.11 110.973 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.973 HD12 HD12 ' A' ' 68' ' ' ILE . 6.4 mt -64.55 161.41 44.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 55.32 109.247 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.35 40.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 63.01 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.782 . . . . 63.13 111.029 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -98.49 -20.57 17.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 72.13 110.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' CD ' HD22 ' A' ' 70' ' ' LEU . 3.3 mttm -84.82 172.34 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 65.11 109.287 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.25 111.74 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 42.42 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.789 HD11 ' HD1' ' A' ' 109' ' ' TYR . 2.5 tt -103.12 157.2 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 74.32 109.272 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.616 ' O ' HD13 ' A' ' 78' ' ' ILE . 57.1 m-85 -137.15 167.51 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 62.45 110.976 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.964 HG13 HG22 ' A' ' 61' ' ' VAL . 5.1 mm -123.77 133.89 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 73.34 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CE1' HD12 ' A' ' 84' ' ' LEU . 3.8 m-85 -120.97 151.55 39.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.01 111.016 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -145.01 122.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 43.15 109.284 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.43 38.5 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 75.44 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.57 38.23 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 65.03 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -133.16 -173.72 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 64.45 110.374 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.548 ' N ' HG23 ' A' ' 83' ' ' THR . 1.5 tt -141.9 93.08 7.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 74.04 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.92 40.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 72.05 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.89 30.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 70.43 110.993 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 t -80.12 -13.77 59.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 71.25 110.402 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.43 -28.8 24.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 64.31 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.534 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -44.33 138.26 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 63.43 109.25 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -88.13 137.75 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.24 109.262 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 mmm -67.57 -8.21 32.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 74.11 111.012 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -89.4 -40.51 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 75.3 109.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.79 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 62.31 109.274 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.747 HG23 ' CD2' ' A' ' 98' ' ' HIS . 13.1 mm -65.39 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.41 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.621 ' HB2' HD22 ' A' ' 105' ' ' LEU . 1.6 t80 -59.51 -23.45 62.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 73.55 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.91 -36.6 84.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 42.1 110.297 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.8 -0.68 16.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 71.4 110.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.747 ' CD2' HG23 ' A' ' 94' ' ' ILE . 86.4 m-70 -114.01 -7.06 13.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 73.54 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -49.83 140.4 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 64.14 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.428 ' HB2' ' CD1' ' A' ' 106' ' ' TYR . 5.0 t0 -96.92 179.81 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.52 109.279 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -73.24 -21.79 60.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 73.15 109.234 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.541 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.0 p30 -90.9 15.12 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 51.35 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.89 -55.25 3.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 75.35 110.959 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 18' ' ' SER . 2.0 m-85 -51.31 -175.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 60.33 111.025 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.648 ' HB3' HG13 ' A' ' 31' ' ' VAL . 7.7 tp -120.23 159.27 25.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 74.43 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -129.07 101.35 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 75.5 111.031 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.503 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -130.43 153.51 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 55.32 109.36 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.451 HG23 ' CB ' ' A' ' 34' ' ' GLU . 4.0 m -138.55 132.62 31.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 75.41 110.431 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.789 ' HD1' HD11 ' A' ' 76' ' ' ILE . 53.3 p90 -101.6 147.41 26.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 75.24 110.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.9 m -140.24 143.47 36.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 71.14 110.029 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.5 -7.87 48.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 54.44 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.825 ' HG3' HG23 ' A' ' 114' ' ' THR . 12.1 tp10 -105.97 165.58 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 51.01 110.286 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.572 ' ND2' ' CE2' ' A' ' 77' ' ' PHE . 34.6 t-20 -101.24 62.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 40.11 109.299 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.825 HG23 ' HG3' ' A' ' 112' ' ' GLU . 52.2 p -120.62 -179.42 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 75.22 110.382 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.41 ' CD2' ' HA ' ' A' ' 83' ' ' THR . 3.2 m-85 -106.41 -2.67 21.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 74.43 111.02 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 63.01 110.998 -179.969 . . . . . . . . 0 0 . 1 stop_ save_