data_2npu_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 2npu _Structure_validation_residue.Date_analyzed 2016-10-08 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 2022 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.62 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.4 m0 -71.62 -52.86 15.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.035 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.719 ' CD2' ' CZ ' ' A' 2070 ' ' PHE . 3.8 m170 -47.71 -23.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' 2029 ' ' GLU . 1.3 tt0 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -76.64 -30.87 57.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.485 ' N ' ' HG3' ' A' 2026 ' ' MET . 61.5 m95 -70.35 -51.06 32.69 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 108.089 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.56 ' HE2' ' HB3' ' A' 2112 ' ' SER . 0.2 OUTLIER -58.54 -59.35 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.578 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.2 OUTLIER -63.62 -36.0 82.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.503 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -60.38 -63.9 4.61 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' 2108 ' ' PHE . 7.1 tp -61.17 -34.99 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 0.807 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' 2028 ' ' HIS . 0.3 OUTLIER -53.65 -45.83 70.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -72.26 -50.31 28.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' 2037 ' ' LEU . . . -52.13 -49.56 63.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' 2038 ' ' TYR . 0.2 OUTLIER -64.52 -51.69 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -48.71 59.4 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' 2038 ' ' TYR . 2.4 pp -71.43 -42.01 68.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' 2037 ' ' LEU . 17.0 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2044 ' ' VAL . . . . . . . . . . . . . 3.1 m -74.39 -15.41 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -51.1 40.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.402 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -54.32 -48.81 62.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.486 ' SD ' ' NE1' ' A' 2101 ' ' TRP . 34.8 ttp -52.83 -48.88 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.962 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.513 ' CG ' ' HE1' ' A' 2089 ' ' MET . 23.0 m-85 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.562 ' O ' ' CD ' ' A' 2053 ' ' PRO . 38.8 mt-10 -75.91 -14.47 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.536 ' C ' ' HD2' ' A' 2053 ' ' PRO . 27.1 t -84.46 -45.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.27 34.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.494 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.2 OUTLIER -35.51 -56.66 1.01 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.562 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.1 Cg_endo -74.97 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.82 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.503 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 18.5 mt -49.01 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' 2051 ' ' LEU . 55.9 m170 -58.78 -52.41 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.609 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.11 -50.26 59.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.535 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.09 -38.64 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.62 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 5.4 mmt -70.73 -29.94 66.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' 2055 ' ' HIS . 3.2 mt-10 -77.65 -63.53 1.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.1 ptt180 -73.12 -21.59 60.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.41 84.9 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.525 1.803 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -143.63 -78.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.247 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.9 t -164.4 174.08 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -30.97 66.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -33.61 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.52 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 4.0 mm-40 -86.94 -20.64 27.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 10.5 m -54.41 -38.46 66.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 58.1 m -66.09 -33.85 76.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.719 ' CZ ' ' CD2' ' A' 2024 ' ' HIS . 1.7 t80 -65.73 -54.13 31.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' 2075 ' ' GLY . 28.8 t-20 -61.81 -29.48 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -78.63 -42.47 28.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.66 -45.08 57.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.606 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 34.1 m-85 -99.01 -16.66 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.07 -44.21 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.657 1.223 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -40.2 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -58.94 -60.27 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 5.4 mt -52.7 -40.71 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 37.6 ttm -54.65 -46.06 73.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.66 -58.99 4.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.496 ' HA ' ' CD1' ' A' 2103 ' ' LEU . . . -54.86 -40.27 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2082 ' ' GLN . . . . . 0.4 ' O ' ' HD3' ' A' 2086 ' ' ARG . 3.7 tt0 -58.0 -41.32 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.44 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.573 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.2 m95 -66.87 -28.77 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.485 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.5 OUTLIER -71.41 -58.32 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' 2082 ' ' GLN . 12.7 mtp180 -55.34 -39.92 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.573 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -65.5 -38.14 88.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.574 ' CE1' HD21 ' A' 2097 ' ' LEU . 0.9 OUTLIER -71.13 -46.9 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.513 ' HE1' ' CG ' ' A' 2048 ' ' PHE . 0.8 OUTLIER -59.93 -35.77 75.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -84.99 -55.92 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' 2087 ' ' LYS . 11.1 t -69.33 -68.42 0.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.2 91.78 2.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.075 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.3 t30 -159.81 120.89 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -56.62 -41.0 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -49.49 -48.38 47.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.7 -37.82 85.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' 2088 ' ' TYR . 4.4 tp -64.14 -44.34 92.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 8.8 m -61.1 -43.81 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -42.68 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.87 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.486 ' NE1' ' SD ' ' A' 2047 ' ' MET . 2.2 m95 -69.32 -30.51 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.33 -50.78 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 13.1 mt -55.0 -50.4 69.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.448 ' O ' HG22 ' A' 2107 ' ' VAL . 7.2 m-85 -54.36 -54.95 33.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.98 -37.97 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -62.31 -48.62 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.606 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -69.53 -49.64 57.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' 2031 ' ' LEU . 17.6 m-85 -62.07 -30.05 70.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 38.9 ttm180 -74.48 -37.19 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -63.9 -51.42 64.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.56 HG21 ' CZ ' ' A' 2070 ' ' PHE . 19.8 pt -48.75 -33.68 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2112 ' ' SER . . . . . 0.56 ' HB3' ' HE2' ' A' 2028 ' ' HIS . 4.1 p -86.02 -50.41 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.268 -0.642 . . . . 71.34 109.268 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.54 ' CD2' ' HE1' ' A' 2058 ' ' MET . 8.6 m0 -49.57 -51.64 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.022 -1.103 . . . . 72.45 108.022 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 4.6 m80 -47.31 -24.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 74.41 109.626 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.6 tm-20 -66.95 -34.8 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 74.02 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.482 ' HE3' ' CE ' ' A' 2058 ' ' MET . 0.0 OUTLIER -77.15 -32.91 56.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 73.51 110.987 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.635 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 67.6 m95 -64.83 -47.38 78.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.44 108.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -64.83 -58.5 6.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 74.33 109.653 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -57.56 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 73.3 110.29 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' 2029 ' ' GLU . . . -58.44 -63.62 5.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 64.11 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.745 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 3.5 mt -60.44 -29.81 69.25 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.592 0.819 . . . . 74.4 109.294 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 2036 ' ' ARG . 8.1 mm-40 -54.2 -51.26 64.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.382 1.051 . . . . 73.15 110.239 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -79.4 -47.88 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 74.32 110.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.95 -44.33 74.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 65.32 109.312 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.1 m -73.33 -45.94 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 74.44 109.957 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2036 ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' 2032 ' ' GLU . 12.1 mtp180 -51.75 -51.06 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 73.54 110.315 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.483 ' CD2' ' HA3' ' A' 2046 ' ' GLY . 2.8 pp -68.11 -39.08 82.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.32 109.335 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.13 110.971 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.282 -0.636 . . . . 64.11 109.282 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 2044 ' ' VAL . . . . . . . . . . . . . 21.4 m -68.46 -12.59 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 75.34 109.373 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.42 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 75.04 109.382 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.483 ' HA3' ' CD2' ' A' 2037 ' ' LEU . . . -57.97 -54.34 38.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 72.12 110.987 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.513 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 6.1 tmm? -54.74 -40.73 69.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 73.23 111.089 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.577 ' CD2' ' HE2' ' A' 2089 ' ' MET . 11.9 m-85 -67.12 -39.28 86.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 75.51 111.037 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.567 ' O ' ' CD ' ' A' 2053 ' ' PRO . 72.4 mt-10 -76.56 -13.69 60.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.611 1.194 . . . . 74.42 110.247 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.555 ' C ' ' HD2' ' A' 2053 ' ' PRO . 25.1 t -84.15 -45.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 65.12 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.605 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.96 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 73.44 109.284 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.85 -56.28 0.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.138 . . . . 73.21 110.359 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.567 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.95 -51.09 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.466 1.772 . . . . 64.42 111.002 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.437 ' HB2' ' HA ' ' A' 2051 ' ' LEU . 46.0 mt -49.14 -56.38 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 75.34 109.388 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 57.4 m170 -58.55 -52.96 63.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.388 1.055 . . . . 74.32 109.67 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.79 -46.8 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 73.03 109.283 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.476 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.73 -40.19 59.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 74.44 110.847 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.54 ' HE1' ' CD2' ' A' 2023 ' ' TRP . 1.0 OUTLIER -70.09 -31.93 69.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.11 111.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' 2055 ' ' HIS . 1.4 mm-40 -72.05 -63.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 75.43 110.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.06 -19.39 60.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 72.04 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.97 80.96 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 61.04 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.15 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 72.35 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.474 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 5.2 tp60 -142.86 -74.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 72.25 110.363 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.449 HG21 ' CG ' ' A' 2063 ' ' GLN . 0.0 OUTLIER -164.35 163.61 22.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.12 110.373 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -27.7 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.4 109.328 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.08 64.17 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.063 . . . . 65.51 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.511 ' OE1' ' CD2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -78.74 -19.82 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 74.45 110.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' 2064 ' ' THR . 2.2 m -54.16 -27.17 31.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 74.12 110.391 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -35.99 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 62.2 110.01 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.401 ' CE2' ' HE2' ' A' 2074 ' ' TYR . 60.2 t80 -65.51 -53.23 45.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.13 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.524 ' O ' ' CA ' ' A' 2075 ' ' GLY . 49.2 t30 -64.17 -28.99 70.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 73.52 109.337 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -78.7 -51.96 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 65.43 110.317 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.91 -49.37 5.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.14 . . . . 75.31 109.323 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.601 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.6 m-85 -96.24 -14.4 22.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 73.02 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.07 -40.03 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.546 1.154 . . . . 75.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -79.06 -53.08 7.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 0.795 . . . . 75.04 110.272 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -51.6 -55.16 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 75.32 109.234 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 43.4 mt -52.36 -37.36 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 65.35 109.271 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -47.53 85.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.13 111.035 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.0 tt0 -62.41 -53.66 51.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 62.02 110.332 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.446 ' HB3' ' CB ' ' A' 2103 ' ' LEU . . . -53.43 -39.29 64.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.373 1.046 . . . . 70.2 109.301 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 74.21 110.352 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -39.66 93.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 75.22 110.329 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.9 m95 -71.02 -31.61 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 75.15 108.055 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 94.6 m -61.61 -51.11 69.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 75.2 108.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.84 98.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 74.34 110.363 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' 2092 ' ' GLY . 4.2 mtpp -52.06 -50.45 61.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 73.44 109.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.492 ' CZ ' HD22 ' A' 2097 ' ' LEU . 67.5 t80 -70.07 -44.49 69.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 52.43 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.577 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -58.55 -49.4 77.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 73.41 111.047 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -59.51 4.8 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.438 1.086 . . . . 70.34 109.202 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.03 61.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 62.31 110.061 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2087 ' ' LYS . . . -102.23 -139.87 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 72.11 111.054 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -148.17 158.87 44.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 71.13 109.394 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -40.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 74.32 109.333 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.0 tttm -49.35 -44.61 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 74.31 109.246 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.4 -36.07 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 72.03 109.35 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.492 HD22 ' CZ ' ' A' 2088 ' ' TYR . 1.5 tp -64.12 -48.62 75.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 74.54 109.25 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.5 m -61.05 -41.42 96.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 75.03 110.408 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -49.09 77.54 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.638 1.211 . . . . 75.14 110.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.46 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.44 109.371 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.441 ' NE1' ' HG3' ' A' 2047 ' ' MET . 0.0 OUTLIER -58.55 -40.05 81.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 73.23 107.986 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -51.04 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 73.11 109.22 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 5.2 mp -54.76 -54.05 47.12 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.146 . . . . 74.34 109.315 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.411 ' O ' HG21 ' A' 2107 ' ' VAL . 14.8 m-85 -55.18 -54.82 38.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 74.03 110.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.07 -36.99 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 75.5 111.118 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 73.14 109.582 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.601 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.0 OUTLIER -66.32 -44.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 72.22 109.275 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.745 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 13.0 m-85 -65.71 -29.74 70.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 75.02 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.0 ttt180 -75.9 -30.81 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 75.43 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2110 ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' 2112 ' ' SER . 0.1 OUTLIER -72.56 -51.62 19.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 70.15 110.308 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.535 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 14.9 pt -42.89 -27.96 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 74.44 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2112 ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' 2110 ' ' ARG . 0.6 OUTLIER -93.85 -51.41 4.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 72.42 109.982 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 4.8 tptt . . . . . 0 C--N 1.326 -0.413 0 O-C-N 124.494 1.121 . . . . 75.13 109.338 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.296 -0.631 . . . . 73.22 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.573 ' CE3' ' SD ' ' A' 2058 ' ' MET . 10.6 m0 -66.64 -50.91 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.15 . . . . 73.44 107.942 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.29 -22.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 74.01 109.619 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' 2023 ' ' TRP . 3.2 tt0 -75.1 -35.13 61.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 75.22 110.207 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.524 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.99 -31.4 66.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 71.34 110.93 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.586 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 70.6 m95 -74.43 -51.36 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.014 -1.106 . . . . 73.3 108.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.1 t60 -54.33 -55.87 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 71.21 109.606 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.413 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 7.4 pt-20 -69.36 -37.18 77.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 74.24 110.306 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.43 ' CA ' HD23 ' A' 2054 ' ' LEU . . . -57.28 -65.14 3.78 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.101 . . . . 64.24 110.993 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.626 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 2.6 tp -60.47 -33.4 72.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 72.24 109.35 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' 2036 ' ' ARG . 6.8 mm-40 -53.05 -47.4 68.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.32 110.274 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.2 -51.09 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 63.12 110.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' 2037 ' ' LEU . . . -51.15 -45.57 61.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 54.13 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' 2038 ' ' TYR . 90.2 p -66.27 -48.65 69.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 75.23 110.001 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2036 ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' 2032 ' ' GLU . 3.2 tpt180 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 75.03 110.322 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' 2038 ' ' TYR . 4.6 pp -70.93 -40.61 71.97 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.566 1.166 . . . . 74.0 109.285 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.577 ' CD1' HG11 ' A' 2044 ' ' VAL . 11.3 t80 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 75.33 111.066 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.423 ' O ' HD13 ' A' 2037 ' ' LEU . 13.5 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.338 -0.615 . . . . 72.42 109.338 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.577 HG11 ' CD1' ' A' 2038 ' ' TYR . 3.3 m -71.88 -11.42 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 70.43 109.218 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -50.27 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.22 109.357 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' 2037 ' ' LEU . . . -53.6 -50.07 55.03 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 74.22 111.044 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.508 ' HE3' ' CE1' ' A' 2048 ' ' PHE . 35.8 ttp -51.75 -56.86 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 0.718 . . . . 71.54 111.036 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.654 ' CD2' ' CE ' ' A' 2089 ' ' MET . 17.2 m-85 -49.29 -41.66 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.24 111.052 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.533 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.8 mt-10 -76.94 -15.85 59.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 71.55 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.592 ' C ' ' HD2' ' A' 2053 ' ' PRO . 5.1 t -85.6 -43.9 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.414 1.071 . . . . 75.55 109.274 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -76.97 -44.26 31.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 75.52 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -36.82 -54.67 1.69 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.348 1.03 . . . . 71.05 110.286 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.592 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.06 -51.92 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.432 1.753 . . . . 70.24 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.454 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -47.93 -55.57 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 74.21 109.159 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.542 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 59.9 m170 -60.97 -53.29 59.11 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 73.53 109.545 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.66 -51.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 73.31 109.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.48 -38.47 44.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.11 111.026 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.573 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -67.7 -32.42 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 73.22 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.9 mm-40 -77.52 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 70.54 110.325 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -70.35 -18.55 63.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.41 110.274 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.73 77.84 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 42.13 111.087 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 70.13 110.941 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.445 ' OE1' ' NE1' ' A' 2023 ' ' TRP . 0.0 OUTLIER -143.62 -64.55 0.38 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.521 1.138 . . . . 75.43 110.348 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' 2065 ' ' LEU . 3.7 t -178.0 175.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 72.51 110.423 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.404 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -55.03 -29.27 57.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 73.41 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 12.5 mttp -66.98 -39.98 87.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 74.42 109.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.492 ' CD ' ' CH2' ' A' 2023 ' ' TRP . 1.4 tm-20 -82.98 -20.64 34.76 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 74.01 110.267 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' 2072 ' ' GLN . 12.0 m -54.44 -28.62 45.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 72.0 110.485 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -37.05 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 70.21 110.095 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.43 ' CZ ' HG21 ' A' 2111 ' ' ILE . 9.7 t80 -64.79 -50.42 66.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 75.03 111.024 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 58.3 t30 -65.16 -29.04 69.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 72.11 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2072 ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' 2068 ' ' THR . 22.8 mt-30 -78.42 -54.0 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 61.23 110.232 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.98 -48.98 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 73.51 109.187 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.57 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 15.1 m-85 -94.25 -15.64 24.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 74.52 111.085 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.67 -49.66 1.88 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 74.41 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -48.08 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 0.836 . . . . 65.31 110.288 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.52 -58.69 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 63.43 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 55.5 mt -52.57 -42.29 64.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.33 109.26 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.9 mtp -56.04 -44.47 78.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.465 1.103 . . . . 72.13 110.969 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.0 tt0 -66.41 -57.09 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 53.44 110.224 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.432 ' HB2' ' CE1' ' A' 2104 ' ' TYR . . . -52.36 -41.66 63.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.34 109.264 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2082 ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' 2085 ' ' CYS . 2.5 tp60 -59.7 -43.38 94.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.11 110.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.14 79.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 72.34 110.269 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.1 m95 -70.43 -33.4 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.927 -1.138 . . . . 72.14 107.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.539 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 6.6 t -61.12 -48.08 83.27 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 74.34 108.344 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -61.81 -43.59 98.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 73.1 110.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.17 -43.77 67.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 53.12 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' 2097 ' ' LEU . 5.7 t80 -72.72 -53.04 12.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 70.43 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.654 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.4 OUTLIER -46.48 -29.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 74.22 111.027 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -56.15 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 61.22 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -160.96 55.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 72.1 110.031 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 55.29 163.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 73.03 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2093 ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' 2092 ' ' GLY . 1.4 m-20 162.14 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 74.41 109.291 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -48.94 -36.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 63.51 109.215 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 7.3 tttt -53.53 -50.87 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 70.01 109.288 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.87 -39.62 76.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 64.11 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' 2088 ' ' TYR . 0.5 OUTLIER -59.31 -48.49 81.43 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.417 1.073 . . . . 64.11 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.6 m -60.86 -42.51 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 74.35 110.338 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2099 ' ' GLN . . . . . 0.446 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.1 OUTLIER -63.69 -46.06 87.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 73.44 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.02 73.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 72.54 109.331 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.491 ' NE1' ' SD ' ' A' 2047 ' ' MET . 2.5 m95 -56.33 -36.8 69.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.001 -1.111 . . . . 75.55 108.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.6 -50.75 70.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 5.8 mp -54.53 -53.32 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 74.11 109.283 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' A' 2081 ' ' ALA . 11.9 m-85 -54.1 -56.65 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 74.43 110.978 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.48 -37.65 17.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 62.52 110.98 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2106 ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.4 OUTLIER -62.56 -44.31 96.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 75.23 109.619 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -77.78 -38.86 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 74.14 109.247 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.626 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 8.9 m-85 -68.71 -33.14 73.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 73.25 110.937 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' 2105 ' ' TYR . 8.7 ptm180 -80.04 -33.67 38.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.659 1.224 . . . . 75.51 110.261 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2110 ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -64.44 -51.38 63.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.533 1.145 . . . . 73.23 110.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.586 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 10.2 pt -44.27 -28.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 75.22 109.247 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 28.8 t -95.21 -55.48 3.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.071 . . . . 71.32 109.964 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 73.34 109.305 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.412 ' CD1' ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.293 -0.632 . . . . 72.1 109.293 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.591 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -77.17 -51.83 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 72.24 107.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.0 m80 -47.26 -22.47 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 74.33 109.586 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' 2023 ' ' TRP . 31.5 tp10 -73.12 -35.36 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.34 110.335 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.523 ' HG3' ' CD1' ' A' 2027 ' ' TRP . 0.2 OUTLIER -72.79 -31.72 65.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 75.24 110.978 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.557 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 68.7 m95 -72.9 -50.21 25.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.043 -1.095 . . . . 72.41 108.043 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' 2032 ' ' GLU . 1.9 t60 -54.5 -58.99 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 72.22 109.616 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -69.27 -30.58 68.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.59 1.181 . . . . 71.5 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' 2026 ' ' MET . . . -62.39 -63.57 4.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 73.22 110.974 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.585 HD23 ' CD2' ' A' 2108 ' ' PHE . 3.9 tp -60.51 -33.65 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 72.22 109.36 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' 2028 ' ' HIS . 4.2 mm-40 -54.34 -53.89 47.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.13 110.265 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.26 -50.42 47.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 70.24 110.36 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.07 -48.39 67.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 63.31 109.326 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 33.6 t -57.28 -47.39 81.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 75.41 110.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -37.37 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 74.21 110.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' 2034 ' ' ALA . 1.8 mt -69.96 -35.79 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 73.02 109.367 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 65.5 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 74.21 110.996 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.258 -0.645 . . . . 73.14 109.258 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.72 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 13.6 t -64.74 -10.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 73.12 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -71.35 -39.68 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 73.24 109.272 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -58.58 -57.41 20.01 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.51 1.132 . . . . 72.24 111.042 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.542 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.51 -43.31 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 74.02 110.993 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.72 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 1.7 m-85 -69.52 -37.43 77.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.538 1.149 . . . . 75.44 110.999 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 81.4 mt-10 -75.42 -13.54 60.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 74.55 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.571 ' C ' ' HD2' ' A' 2053 ' ' PRO . 24.5 t -84.95 -44.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 74.15 109.274 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.616 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -45.13 32.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 74.21 109.181 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.7 mt-10 -35.78 -55.62 1.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 65.23 110.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.571 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.96 -50.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.4 1.737 . . . . 74.44 110.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.473 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -48.05 -55.25 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 75.24 109.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 47.1 m170 -60.67 -51.88 67.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.42 109.624 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.41 -51.51 58.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 72.51 109.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.92 -37.65 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 73.0 110.996 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.591 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -68.1 -32.78 73.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 74.32 110.998 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.49 -63.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 74.33 110.339 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' 2056 ' ' ALA . 2.6 ptm85 -72.54 -12.33 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 74.32 110.27 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -124.96 71.04 0.46 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 53.3 110.949 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.01 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.83 . . . . 65.52 110.972 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.434 ' C ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -144.54 -84.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.53 110.322 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.434 ' CG2' ' C ' ' A' 2063 ' ' GLN . 43.7 p -152.25 -169.18 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 75.2 110.394 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -30.76 6.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 75.35 109.152 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -53.27 57.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 74.55 109.322 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.467 ' CG ' ' CH2' ' A' 2023 ' ' TRP . 3.4 tm-20 -58.71 -34.99 71.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 74.35 110.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.01 -39.8 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 73.3 110.422 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -39.4 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 62.34 109.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.83 -53.4 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 74.41 111.046 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.545 ' O ' ' CA ' ' A' 2075 ' ' GLY . 31.0 t30 -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 75.34 109.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -78.81 -51.22 10.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 73.2 110.26 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.03 -51.54 5.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 64.24 109.237 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.585 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 21.8 m-85 -95.48 -13.42 24.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.6 1.187 . . . . 73.14 110.938 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.545 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.56 -43.71 3.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 54.32 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -46.21 26.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.507 0.769 . . . . 73.13 110.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.91 -59.14 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 72.25 109.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.408 HD12 ' CD2' ' A' 2055 ' ' HIS . 9.7 mt -51.91 -39.79 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 73.0 109.287 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 9.4 mmm -57.47 -46.56 83.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 75.13 111.028 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.7 tt0 -65.36 -58.5 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.4 110.355 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.424 ' N ' HD22 ' A' 2103 ' ' LEU . . . -52.9 -41.99 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 72.5 109.298 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.35 84.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.409 1.068 . . . . 63.21 110.296 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -37.48 87.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.129 . . . . 71.3 110.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.572 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 90.9 m95 -65.02 -35.5 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 74.23 108.076 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.0 t -63.51 -57.07 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 75.42 108.262 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -33.54 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 75.22 110.247 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.572 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -71.15 -32.39 68.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 71.13 109.36 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 54.9 t80 -79.19 -43.47 23.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 71.12 110.982 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.65 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.6 mtt -65.0 -36.52 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 75.44 110.999 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -58.79 3.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 70.32 109.279 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.37 66.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 75.21 110.059 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.96 15.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 74.31 111.041 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.16 161.81 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 64.34 109.336 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2094 ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' 2095 ' ' LYS . 0.3 OUTLIER -48.39 -43.13 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.625 1.203 . . . . 75.15 109.363 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2095 ' ' LYS . . . . . 0.4 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.9 OUTLIER -49.27 -46.36 46.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 73.32 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' 2096 ' ' ASP . 0.5 OUTLIER -66.26 -42.89 87.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 64.33 109.302 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.576 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 8.0 tp -60.39 -44.87 95.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 72.43 109.276 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 95.7 m -59.62 -44.13 93.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 72.42 110.453 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.7 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 73.05 110.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.38 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 74.41 109.268 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -32.09 73.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.983 -1.117 . . . . 73.53 107.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -47.67 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 73.43 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.6 mp -54.6 -53.07 59.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 73.22 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.437 ' O ' HG22 ' A' 2107 ' ' VAL . 13.1 m-85 -54.47 -55.06 32.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 75.13 110.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.498 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.8 -37.63 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 75.35 111.001 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -51.41 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.353 1.033 . . . . 65.41 109.64 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.585 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -67.71 -48.77 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 74.43 109.263 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.585 ' CD2' HD23 ' A' 2031 ' ' LEU . 13.5 m-85 -61.47 -30.31 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 72.11 110.969 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' 2105 ' ' TYR . 6.1 ttt180 -77.12 -33.41 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 74.33 110.305 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -66.25 -52.28 49.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 75.41 110.338 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.557 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 11.2 pt -44.35 -38.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 71.11 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 18.5 p -79.98 -50.59 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 75.13 110.034 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 74.41 109.341 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.337 -0.616 . . . . 74.43 109.337 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.614 ' CG ' ' CE ' ' A' 2058 ' ' MET . 11.5 m0 -63.93 -52.32 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 75.21 107.964 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.7 m80 -45.76 -26.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 74.4 109.643 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2025 ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -71.06 -35.01 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 71.51 110.19 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.56 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.29 -30.87 66.79 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.618 1.199 . . . . 72.5 111.008 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.56 ' N ' ' HG3' ' A' 2026 ' ' MET . 64.3 m95 -72.82 -51.12 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 75.34 108.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -53.12 -58.8 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 75.04 109.552 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 73.42 110.266 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -58.87 -63.65 5.01 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 64.2 111.003 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.618 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 4.2 tp -58.98 -33.16 70.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.807 . . . . 72.51 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -53.68 48.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 64.22 110.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.401 ' O ' HD11 ' A' 2037 ' ' LEU . 4.7 tt0 -68.64 -50.94 47.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.4 110.348 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -51.55 -49.13 62.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 74.45 109.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 14.6 p -61.44 -38.16 86.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 74.21 109.982 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -35.15 75.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.16 . . . . 73.34 110.251 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.492 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 1.4 mt -70.57 -47.51 59.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 73.53 109.285 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 47.9 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 75.4 111.076 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.457 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 15.0 m-20 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.287 -0.634 . . . . 71.21 109.287 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.588 HG11 ' CD2' ' A' 2048 ' ' PHE . 40.7 t -63.55 -19.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 73.45 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.457 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.92 -35.73 34.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 61.25 109.352 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.561 ' O ' ' HG3' ' A' 2049 ' ' GLU . . . -59.01 -49.46 78.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.476 1.11 . . . . 75.14 110.967 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.573 ' HE1' ' CE1' ' A' 2048 ' ' PHE . 10.3 tmm? -62.87 -41.75 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.13 111.019 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.602 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 9.9 m-85 -72.95 -39.34 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 63.15 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -75.57 -14.2 60.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 74.4 110.449 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.579 ' C ' ' HD2' ' A' 2053 ' ' PRO . 5.4 t -85.05 -43.49 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 74.22 109.257 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.58 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.64 -46.95 23.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.32 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.3 mm-40 -34.53 -54.65 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 70.11 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.05 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 75.2 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.41 -55.88 9.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.415 1.072 . . . . 74.43 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 61.4 m170 -60.43 -53.09 61.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 73.03 109.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.37 -51.38 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 54.1 109.375 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.534 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.77 -39.06 51.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 74.21 110.957 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.614 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 1.3 mmt -67.4 -31.93 72.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 65.43 111.018 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.1 mm-40 -77.43 -64.74 1.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.446 1.091 . . . . 64.23 110.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' 2056 ' ' ALA . 10.0 ptm180 -70.08 -21.4 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.14 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.534 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.8 0.3 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 73.31 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.361 1.716 . . . . 75.2 110.909 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.495 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.8 OUTLIER -143.49 -78.12 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 64.41 110.338 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' 2063 ' ' GLN . 17.0 p -157.63 -176.4 5.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.501 1.125 . . . . 74.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -27.88 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 72.41 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.2 mptt -71.65 -42.96 66.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 75.14 109.388 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.425 ' OE1' ' CG ' ' A' 2063 ' ' GLN . 0.2 OUTLIER -74.77 -19.8 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 74.33 110.312 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -61.42 -38.68 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 72.21 110.447 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 13.6 m -73.84 -29.93 62.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 74.13 110.073 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.448 ' O ' ' CD2' ' A' 2074 ' ' TYR . 5.4 t80 -68.72 -53.33 22.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 74.2 111.018 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.08 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 72.11 109.365 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -78.02 -43.41 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 74.03 110.32 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.06 14.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.21 109.287 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.567 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.1 m-85 -88.37 -23.46 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.2 110.927 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -36.31 -35.25 0.1 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.534 1.146 . . . . 74.33 110.932 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2076 ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.26 -56.67 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 72.21 110.309 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.32 -55.8 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 73.43 109.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 17.9 mt -52.46 -37.25 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 74.12 109.316 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -47.32 86.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 62.14 111.041 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.47 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 2.8 tt0 -63.33 -59.92 4.07 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.63 1.207 . . . . 73.3 110.379 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.429 ' HB3' ' CB ' ' A' 2103 ' ' LEU . . . -52.62 -41.61 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 63.5 109.259 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -43.36 82.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.494 1.121 . . . . 64.15 110.366 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -38.47 90.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 71.5 110.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.7 m95 -65.27 -33.64 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 71.15 108.012 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 6.6 t -65.49 -58.2 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 63.35 108.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -40.86 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 61.33 110.307 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.31 87.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 75.11 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.568 ' CE2' HD11 ' A' 2097 ' ' LEU . 3.1 t80 -74.4 -52.18 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 75.22 111.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.574 ' HE1' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -54.04 -31.74 52.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 64.24 110.938 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -71.72 -58.37 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.04 109.315 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.59 66.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 64.04 110.137 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -113.6 -139.4 7.27 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.434 1.084 . . . . 74.22 110.965 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.45 164.25 38.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 73.34 109.35 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -34.39 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 72.22 109.327 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.34 -49.11 45.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 75.44 109.346 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.08 -35.3 76.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 63.24 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' 2088 ' ' TYR . 0.9 OUTLIER -64.18 -45.35 88.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 74.25 109.315 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 52.6 m -61.83 -45.14 95.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 70.44 110.372 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2099 ' ' GLN . . . . . 0.448 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.2 OUTLIER -56.26 -46.09 79.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 74.22 110.316 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.79 95.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.44 109.331 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.1 m95 -65.12 -32.68 74.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 74.34 107.998 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -50.67 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 72.34 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.5 mp -54.41 -52.9 60.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 71.43 109.342 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.445 ' O ' HG22 ' A' 2107 ' ' VAL . 13.4 m-85 -53.79 -56.01 21.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 74.41 110.956 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.71 -36.7 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 71.52 111.042 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2106 ' ' HIS . . . . . 0.426 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.9 OUTLIER -63.39 -45.36 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 71.43 109.616 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.567 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -76.17 -37.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 74.33 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.618 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 7.3 m-85 -69.46 -33.61 73.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 75.05 111.072 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -81.72 -28.54 33.36 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.474 1.109 . . . . 65.32 110.274 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2110 ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' 2106 ' ' HIS . 0.3 OUTLIER -69.38 -52.44 27.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 75.21 110.311 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.52 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 3.3 pt -42.42 -33.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.3 109.262 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2112 ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' 2113 ' ' LYS . 81.5 p -84.83 -56.91 3.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 74.42 110.007 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2113 ' ' LYS . . . . . 0.444 ' HZ1' ' NH2' ' A' 2109 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.548 0 O-C-N 124.511 1.132 . . . . 74.51 109.203 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.351 -0.611 . . . . 71.4 109.351 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' 2067 ' ' GLU . 5.0 m0 -48.78 -49.68 37.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.53 108.132 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m170 -47.18 -22.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.14 109.576 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.1 tt0 -72.99 -36.02 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 62.11 110.236 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.511 ' HG2' ' CE ' ' A' 2058 ' ' MET . 0.0 OUTLIER -72.76 -32.67 65.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.384 1.052 . . . . 74.31 110.918 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.618 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 69.3 m95 -71.82 -51.62 21.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 73.44 108.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.5 OUTLIER -53.49 -59.6 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 74.04 109.595 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.442 ' N ' ' CD2' ' A' 2028 ' ' HIS . 9.0 pt-20 -67.46 -33.94 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.01 110.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' 2026 ' ' MET . . . -59.69 -64.17 4.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 64.33 110.947 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.603 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 3.4 tp -60.28 -30.53 69.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 72.53 109.31 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.72 -53.27 57.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.35 110.352 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.88 -50.13 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 72.31 110.33 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.483 ' HB3' ' CB ' ' A' 2047 ' ' MET . . . -55.92 -48.52 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.48 1.113 . . . . 75.14 109.415 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' 2031 ' ' LEU . 83.6 p -56.82 -43.88 81.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 71.13 110.052 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -34.16 75.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 71.2 110.281 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.416 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 3.1 mt -69.78 -33.48 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 75.41 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 73.04 110.954 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.382 -0.599 . . . . 73.41 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.575 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 35.6 t -53.24 -20.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 73.23 109.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.89 -37.12 41.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 74.21 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.416 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -54.26 -55.2 27.68 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.539 1.149 . . . . 64.42 111.011 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.5 ' CE ' HG11 ' A' 2044 ' ' VAL . 9.0 tmm? -57.7 -55.07 39.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 62.44 111.068 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.575 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 10.3 m-85 -50.06 -43.68 51.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 73.5 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.8 OUTLIER -76.01 -15.4 60.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 70.51 110.344 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.591 ' C ' ' HD2' ' A' 2053 ' ' PRO . 12.1 t -85.87 -44.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.142 . . . . 74.21 109.357 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.27 -41.8 39.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 60.31 109.204 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.7 OUTLIER -38.79 -54.69 3.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 74.45 110.223 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.591 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.01 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 63.41 110.939 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.01 -54.92 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 63.14 109.331 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.436 ' O ' ' HG2' ' A' 2059 ' ' GLU . 61.8 m170 -60.37 -52.95 63.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 73.01 109.66 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.02 -51.8 54.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 71.15 109.3 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.58 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.58 -35.84 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 71.25 110.973 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.548 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.4 mmt -70.58 -31.89 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.193 . . . . 65.41 110.984 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.9 mm-40 -77.63 -64.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 74.03 110.316 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.5 -24.52 61.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.23 110.347 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.58 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.99 81.67 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 75.51 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 65.1 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.498 ' O ' ' CG2' ' A' 2064 ' ' THR . 9.0 tt0 -133.75 -62.67 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 74.42 110.163 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' 2063 ' ' GLN . 5.0 p -158.83 -169.44 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 73.42 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' A' 2068 ' ' THR . 0.5 OUTLIER -69.83 -27.3 64.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 75.24 109.252 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -75.03 -32.45 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 74.45 109.249 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.58 ' HG3' ' CH2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -46.19 -25.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 75.35 110.34 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' 2072 ' ' GLN . 35.8 p -55.13 -48.44 73.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 61.4 110.409 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.0 t -53.55 -42.59 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 54.45 109.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.406 ' CE2' ' HE2' ' A' 2074 ' ' TYR . 22.4 t80 -72.86 -53.96 10.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.385 1.053 . . . . 75.44 110.905 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.526 ' O ' ' CA ' ' A' 2075 ' ' GLY . 16.8 t-20 -59.35 -31.89 69.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 74.32 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2072 ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' 2068 ' ' THR . 2.7 mt-30 -80.91 -51.59 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.637 1.211 . . . . 71.41 110.382 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.47 -43.75 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 64.15 109.227 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.7 m-85 -102.88 -15.68 16.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 64.51 110.93 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.83 -53.08 2.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 64.25 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.14 -39.27 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 75.14 110.196 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.43 -61.28 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.34 109.304 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.1 -38.1 56.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 65.01 109.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 12.6 mmm -58.07 -47.94 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 71.41 111.04 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -62.91 -59.35 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 75.01 110.227 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.488 ' CB ' HD11 ' A' 2103 ' ' LEU . . . -53.13 -41.61 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 74.31 109.317 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -55.31 -44.15 75.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.52 110.273 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.43 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.12 -36.59 84.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 73.45 110.276 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.2 m95 -71.14 -32.58 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.016 -1.105 . . . . 73.44 108.016 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.524 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 11.1 t -61.07 -49.56 76.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 74.32 108.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 74.55 110.328 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.43 ' CE ' ' HG3' ' A' 2083 ' ' GLU . 10.1 mttt -49.7 -48.86 49.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 73.24 109.275 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' 2092 ' ' GLY . 7.5 t80 -69.94 -52.52 23.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 72.54 111.075 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.539 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -46.18 -25.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 75.24 111.008 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -41.66 88.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 74.32 109.249 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.77 -47.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 73.34 110.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 130.77 88.77 0.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 73.21 110.89 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2093 ' ' ASN . . . . . 0.477 ' N ' ' CD2' ' A' 2088 ' ' TYR . 2.3 m-20 -110.83 96.43 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 73.2 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 t -46.09 -44.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 73.41 109.325 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -46.89 69.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 70.3 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -69.04 -49.88 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 74.04 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.533 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 21.7 tp -53.9 -44.78 70.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 74.12 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 5.9 m -59.69 -48.4 81.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 73.04 110.462 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -40.42 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 75.02 110.289 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2100 ' ' ALA . . . . . 0.581 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -67.57 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 75.52 109.397 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.5 m95 -72.53 -29.75 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 75.53 107.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.8 -50.89 30.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 73.41 109.294 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' 2081 ' ' ALA . 3.7 mt -55.8 -51.13 68.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.24 109.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' 2100 ' ' ALA . 12.9 m-85 -53.17 -56.03 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 71.22 110.953 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.19 -38.68 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 74.43 111.064 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -50.48 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 73.23 109.594 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -70.82 -49.27 51.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 72.43 109.365 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.603 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 12.7 m-85 -59.64 -31.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 71.44 110.952 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.9 OUTLIER -78.29 -35.58 47.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.43 110.271 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -50.8 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 75.25 110.361 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.618 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -47.83 -35.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 75.43 109.368 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2112 ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' 2109 ' ' ARG . 1.8 p -80.71 -43.73 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 63.31 109.956 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 71.44 109.276 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.284 -0.636 . . . . 74.34 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.566 ' CE3' ' SD ' ' A' 2058 ' ' MET . 7.5 m0 -78.13 -48.22 16.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.005 -1.109 . . . . 73.34 108.005 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' 2028 ' ' HIS . 2.9 m80 -47.47 -22.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 74.22 109.602 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -70.43 -37.02 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 75.24 110.345 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.504 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -75.11 -31.62 61.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 75.01 110.979 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.565 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 69.2 m95 -71.56 -51.06 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 75.11 108.078 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' 2032 ' ' GLU . 13.7 m170 -56.07 -51.57 67.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 71.53 109.567 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.3 mm-40 -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 65.24 110.292 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.477 ' CA ' HD23 ' A' 2054 ' ' LEU . . . -60.31 -65.23 3.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 72.41 110.958 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.616 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 0.9 OUTLIER -61.27 -31.79 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 0.714 . . . . 72.31 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' 2028 ' ' HIS . 7.8 mt-10 -54.23 -49.89 68.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 74.24 110.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.73 -51.05 11.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 74.11 110.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.46 ' HB2' ' CG ' ' A' 2047 ' ' MET . . . -52.29 -43.42 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 72.45 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' 2031 ' ' LEU . 27.2 p -73.54 -49.77 24.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 55.21 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -48.0 49.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 74.51 110.362 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' 2038 ' ' TYR . 4.0 pp -70.47 -46.52 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 72.04 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' 2037 ' ' LEU . 68.3 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.358 1.036 . . . . 74.54 110.945 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 73.52 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.604 HG13 ' CE2' ' A' 2048 ' ' PHE . 53.3 t -57.04 -20.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 73.31 109.367 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -49.91 -42.12 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 63.32 109.286 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.405 ' C ' HD21 ' A' 2037 ' ' LEU . . . -54.12 -54.11 33.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 74.01 110.953 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.481 ' SD ' ' N ' ' A' 2048 ' ' PHE . 12.2 tmm? -52.59 -55.12 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.801 . . . . 62.1 110.971 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.653 ' CD2' ' CE ' ' A' 2089 ' ' MET . 8.4 m-85 -51.48 -39.33 57.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 73.43 111.019 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.1 mt-10 -76.86 -16.17 59.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 63.43 110.356 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.595 ' C ' ' HD2' ' A' 2053 ' ' PRO . 4.4 t -87.01 -43.54 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.24 109.258 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.586 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.73 -39.53 44.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 75.14 109.324 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.543 ' HB2' ' O ' ' A' 2048 ' ' PHE . 1.1 mm-40 -40.83 -54.57 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.32 110.378 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.595 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.9 Cg_endo -75.03 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.434 1.755 . . . . 71.41 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.76 -53.93 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 73.25 109.282 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 51.7 m170 -60.87 -52.74 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 72.23 109.617 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.51 -51.31 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.637 1.211 . . . . 75.34 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.21 -37.42 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.4 111.032 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.566 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.1 mmt -69.13 -32.01 71.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 74.35 111.007 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.22 -63.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.15 110.352 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' 2056 ' ' ALA . 8.5 ptm180 -71.59 -20.71 61.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 64.34 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.19 80.49 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 75.3 110.971 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 74.22 110.996 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.437 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 10.6 tt0 -143.36 -75.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 75.24 110.374 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 1.2 t -163.89 165.5 22.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 74.31 110.425 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 3.1 mt -54.46 -27.85 40.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 74.01 109.361 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 5.6 tttm -71.24 -35.79 71.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.15 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 0.0 OUTLIER -85.79 -19.02 31.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 74.42 110.334 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.1 m -54.26 -26.45 29.04 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.471 1.107 . . . . 75.52 110.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -38.36 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 72.44 109.979 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' 2111 ' ' ILE . 4.5 t80 -63.85 -47.56 80.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.382 1.051 . . . . 74.3 110.963 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.509 ' O ' ' CA ' ' A' 2075 ' ' GLY . 6.7 t30 -69.52 -28.47 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 71.53 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -54.1 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.24 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.44 -52.14 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 74.11 109.247 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.3 m-85 -91.55 -15.31 28.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 71.44 111.081 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.1 -43.88 1.94 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 63.11 111.012 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -50.52 12.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 0.803 . . . . 63.14 110.362 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.79 -54.94 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.11 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 52.6 mt -52.48 -38.16 58.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 74.32 109.346 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.469 1.105 . . . . 75.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.487 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 31.5 tt0 -62.64 -54.33 41.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.634 1.209 . . . . 73.24 110.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.56 -39.34 64.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.436 1.085 . . . . 63.12 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -39.71 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 72.44 110.266 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -39.0 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 72.25 110.278 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.408 ' O ' ' OD1' ' A' 2096 ' ' ASP . 99.8 m95 -68.61 -34.54 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 72.32 108.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.617 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -58.25 -56.41 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 72.24 108.329 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -37.66 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 63.24 110.35 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.773 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 1.8 mtpp -56.56 -48.89 76.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 73.11 109.272 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.564 ' CE2' HD21 ' A' 2097 ' ' LEU . 0.6 OUTLIER -70.67 -45.67 64.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 64.12 111.008 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.653 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -56.44 -30.57 63.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 75.11 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.91 -57.3 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.13 109.32 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 23.1 t -69.83 -63.02 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 65.25 110.003 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.9 84.17 1.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 74.32 110.969 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.68 125.26 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 63.53 109.349 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 p -61.68 -38.81 81.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 63.32 109.212 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.2 tttt -49.5 -51.72 34.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.517 1.136 . . . . 71.11 109.23 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.773 ' HD2' ' HB2' ' A' 2087 ' ' LYS . 0.6 OUTLIER -64.98 -42.8 94.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 70.15 109.325 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' 2088 ' ' TYR . 2.5 tp -58.18 -46.79 85.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 72.01 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 21.0 m -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 75.42 110.455 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -48.09 75.59 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.509 1.13 . . . . 74.55 110.265 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.36 -47.04 87.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 72.21 109.34 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.453 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.1 m95 -58.19 -31.0 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.955 -1.128 . . . . 64.45 107.955 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.04 -49.69 66.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 65.44 109.298 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.3 mp -54.41 -52.91 60.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.54 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.438 ' O ' HG21 ' A' 2107 ' ' VAL . 11.1 m-85 -53.87 -55.87 22.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 75.14 111.084 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.81 -36.94 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 75.32 110.963 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -50.71 70.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 75.13 109.537 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -70.48 -49.37 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 72.32 109.303 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.616 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 15.0 m-85 -59.77 -29.86 68.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 75.02 111.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.8 OUTLIER -76.84 -39.78 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.172 . . . . 72.13 110.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -51.33 69.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 73.23 110.296 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.514 ' CG1' ' O ' ' A' 2108 ' ' PHE . 19.0 pt -46.22 -39.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.36 1.037 . . . . 72.45 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 16.0 p -81.93 -53.82 5.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 71.34 110.009 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 75.4 109.344 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' 2025 ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.251 -0.648 . . . . 74.44 109.251 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.584 ' CE3' ' SD ' ' A' 2058 ' ' MET . 11.5 m0 -56.46 -48.21 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 75.23 108.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.2 m170 -46.9 -25.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 73.34 109.606 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' 2022 ' ' LEU . 36.9 tt0 -70.69 -33.68 71.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 55.2 110.265 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -75.32 -30.54 60.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 75.15 110.908 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.502 ' N ' ' HG3' ' A' 2026 ' ' MET . 62.9 m95 -71.56 -50.88 26.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.175 . . . . 73.22 108.068 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.8 t60 -57.35 -57.93 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 73.13 109.568 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.71 -35.2 79.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 70.23 110.204 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.29 -63.31 4.99 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 72.31 111.017 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.631 ' HB2' ' CE1' ' A' 2108 ' ' PHE . 6.5 tp -56.92 -36.99 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 74.41 109.364 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' 2036 ' ' ARG . 6.0 mm-40 -53.06 -53.97 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 75.45 110.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.512 ' HE2' HD22 ' A' 2037 ' ' LEU . 0.0 OUTLIER -61.55 -50.4 72.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 74.12 110.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -55.1 -40.87 70.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 71.11 109.267 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' 2031 ' ' LEU . 0.6 OUTLIER -72.41 -51.96 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 73.12 109.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2036 ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' 2032 ' ' GLU . 0.3 OUTLIER -49.93 -50.79 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 74.03 110.262 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' 2033 ' ' GLU . 3.1 pp -68.7 -45.08 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 72.02 109.368 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.475 ' CB ' ' O ' ' A' 2034 ' ' ALA . 19.9 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 72.4 111.038 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.412 ' HB3' ' HG2' ' A' 2045 ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.303 -0.628 . . . . 73.21 109.303 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.491 ' CB ' HD13 ' A' 2097 ' ' LEU . 34.5 m -77.33 -29.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 70.14 109.35 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.412 ' HG2' ' HB3' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.15 -40.86 25.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 64.33 109.289 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -57.96 -50.65 64.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 74.25 110.967 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.472 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 4.7 tmm? -53.49 -44.68 69.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 0.699 . . . . 74.04 111.045 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.47 ' CD1' ' SD ' ' A' 2047 ' ' MET . 11.2 m-85 -65.8 -36.18 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 73.04 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.6 mm-40 -75.89 -14.42 60.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 72.2 110.289 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.578 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.3 t -84.62 -43.18 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 75.12 109.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.632 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.75 -46.19 26.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.373 1.046 . . . . 74.32 109.254 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.35 -55.09 1.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 75.24 110.301 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.578 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.06 -50.96 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 74.53 110.939 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.497 ' CD2' ' SD ' ' A' 2026 ' ' MET . 27.9 mt -49.34 -56.49 9.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 75.31 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 58.7 m170 -59.91 -53.06 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 75.15 109.663 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.86 -50.52 45.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 75.44 109.408 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.52 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.17 -38.23 50.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 74.13 111.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.584 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -67.81 -32.5 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.381 1.051 . . . . 62.43 111.042 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' 2055 ' ' HIS . 1.2 mm-40 -77.12 -64.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 74.05 110.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' 2056 ' ' ALA . 3.7 ptt180 -69.49 -21.9 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 71.21 110.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.35 84.7 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 70.24 111.009 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.542 1.811 . . . . 61.55 111.067 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.506 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.9 OUTLIER -152.04 -73.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 75.31 110.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' 2063 ' ' GLN . 26.6 p -157.51 177.71 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 74.44 110.418 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.93 -27.87 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 74.23 109.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -36.76 78.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 74.35 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.542 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 3.2 mm-40 -81.4 -23.57 37.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 72.41 110.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -55.73 -34.7 65.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.21 110.393 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.6 t -74.04 -36.74 64.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.4 110.006 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.444 ' CE2' HG22 ' A' 2111 ' ' ILE . 9.8 t80 -63.96 -48.24 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.22 111.089 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' 2075 ' ' GLY . 29.0 t30 -66.85 -28.92 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 73.32 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -79.12 -52.29 8.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.32 110.291 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.92 -35.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.378 1.049 . . . . 72.04 109.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.589 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.8 m-85 -107.72 -20.58 13.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 75.14 111.005 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -37.23 -39.18 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.283 0.99 . . . . 64.22 110.919 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -78.38 -48.25 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 74.24 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.02 -56.98 14.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 74.13 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.53 -39.15 61.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 74.34 109.339 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.5 mmm -57.73 -48.29 80.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 73.41 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.97 -55.92 28.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.612 1.195 . . . . 70.1 110.38 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.557 ' HB2' ' CE1' ' A' 2104 ' ' TYR . . . -55.79 -43.14 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.576 1.172 . . . . 71.23 109.269 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -53.73 -40.22 65.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 75.41 110.376 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.464 ' HA ' ' NE ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -68.15 -37.13 80.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 64.22 110.235 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.52 -23.53 58.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.187 . . . . 71.34 107.969 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.468 ' SG ' ' CD1' ' A' 2048 ' ' PHE . 9.9 t -67.67 -58.94 3.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 71.45 108.39 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' A' 2083 ' ' GLU . 4.8 ptt180 -63.24 -27.56 69.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 72.12 110.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.455 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.4 OUTLIER -61.09 -54.91 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.33 109.326 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.493 ' CZ ' HD11 ' A' 2097 ' ' LEU . 9.1 t80 -67.63 -34.78 77.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 72.24 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -50.06 61.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 74.41 111.053 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -58.13 8.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 74.34 109.355 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.53 66.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 74.14 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' 2088 ' ' TYR . . . -111.8 -130.75 5.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 62.41 110.977 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -161.47 167.75 24.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 0.774 . . . . 74.33 109.227 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.3 -33.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 74.24 109.259 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 14.2 tttt -50.52 -49.45 55.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 71.31 109.239 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.62 74.47 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.616 1.197 . . . . 63.41 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.493 HD11 ' CZ ' ' A' 2088 ' ' TYR . 0.7 OUTLIER -66.38 -49.09 68.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 75.34 109.366 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -59.27 -42.41 91.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.634 1.209 . . . . 74.24 110.383 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -43.86 95.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 72.21 110.363 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2100 ' ' ALA . . . . . 0.612 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -63.64 -40.4 96.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.25 109.297 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.419 ' NE1' ' HG3' ' A' 2047 ' ' MET . 0.8 OUTLIER -70.25 -29.79 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 73.34 108.01 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.96 -51.02 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 72.33 109.408 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.487 HD11 ' CB ' ' A' 2081 ' ' ALA . 4.3 mt -55.27 -53.17 59.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.591 1.182 . . . . 71.1 109.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' 2100 ' ' ALA . 20.0 m-85 -54.57 -56.27 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 74.14 110.948 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.583 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 1.1 t80 -47.71 -34.88 8.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 72.25 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -53.94 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 72.22 109.541 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.589 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -63.51 -49.98 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 70.31 109.344 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.631 ' CE1' ' HB2' ' A' 2031 ' ' LEU . 12.7 m-85 -57.39 -29.33 63.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 74.23 110.975 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.583 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 1.1 mtt180 -76.05 -38.51 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 73.52 110.191 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -51.19 69.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 71.25 110.339 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' 2108 ' ' PHE . 16.1 pt -48.14 -27.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 74.12 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.56 -50.88 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.13 109.898 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 74.34 109.342 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' A' 2022 ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.307 -0.627 . . . . 73.23 109.307 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.602 ' CZ2' ' OE1' ' A' 2063 ' ' GLN . 10.6 m0 -63.88 -51.04 66.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.886 -1.153 . . . . 73.1 107.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.574 ' CE1' HD11 ' A' 2022 ' ' LEU . 2.0 m170 -45.84 -24.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 75.55 109.537 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' 2029 ' ' GLU . 2.9 tt0 -73.62 -40.25 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 75.15 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.1 OUTLIER -67.08 -31.45 71.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 74.53 111.051 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.606 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 66.2 m95 -73.01 -50.8 21.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 75.31 108.017 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.0 OUTLIER -57.08 -50.69 72.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 72.3 109.551 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.1 mm-40 -67.38 -45.64 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 75.43 110.328 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.474 ' CA ' HD22 ' A' 2054 ' ' LEU . . . -52.29 -64.64 3.85 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.605 1.191 . . . . 62.45 110.996 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.63 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 1.9 tp -58.97 -34.04 71.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.787 . . . . 72.45 109.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' 2028 ' ' HIS . 0.1 OUTLIER -54.16 -53.61 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 74.21 110.274 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' 2037 ' ' LEU . 4.1 tt0 -69.44 -51.09 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 73.11 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -50.99 -46.96 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 72.54 109.323 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' 2031 ' ' LEU . 4.3 t -65.66 -53.73 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 73.25 110.013 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -48.49 57.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.5 1.125 . . . . 72.2 110.239 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' 2038 ' ' TYR . 2.9 pp -70.73 -44.34 67.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 75.42 109.257 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.531 ' N ' ' CD1' ' A' 2037 ' ' LEU . 27.6 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.24 111.014 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 32.6 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.268 -0.641 . . . . 73.22 109.268 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.552 HG11 ' CD2' ' A' 2048 ' ' PHE . 55.5 t -51.71 -22.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 72.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -45.91 62.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 73.34 109.274 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.435 ' HA3' ' CD2' ' A' 2037 ' ' LEU . . . -53.46 -54.01 32.26 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.477 1.11 . . . . 72.5 110.976 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.489 ' CE ' HG12 ' A' 2044 ' ' VAL . 12.7 tmm? -51.49 -54.73 24.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 0.782 . . . . 72.34 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.577 ' CD2' ' HE3' ' A' 2089 ' ' MET . 20.6 m-85 -49.84 -42.81 48.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 75.12 111.052 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 2.4 mm-40 -76.87 -15.29 59.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 64.01 110.254 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.589 ' C ' ' HD2' ' A' 2053 ' ' PRO . 6.2 t -85.31 -45.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 72.21 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.583 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.29 -43.1 34.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 72.34 109.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.544 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -37.19 -54.63 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 74.24 110.31 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.589 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.95 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 75.14 110.929 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.488 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -48.03 -55.56 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 75.44 109.354 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 32.4 m170 -61.2 -52.44 64.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 71.22 109.598 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.22 -52.32 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 74.05 109.349 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.518 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -49.98 -38.84 38.82 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.529 1.143 . . . . 63.12 110.997 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.4 mmt -68.51 -31.63 71.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 74.51 110.993 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.1 mt-10 -78.11 -63.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 63.45 110.369 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.78 -15.95 62.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 71.43 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.82 75.05 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.437 1.086 . . . . 62.41 111.073 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.0 Cg_endo -75.13 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.463 1.77 . . . . 74.31 110.931 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.602 ' OE1' ' CZ2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -139.4 -81.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 71.52 110.315 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' 2063 ' ' GLN . 1.9 p -157.73 -172.7 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 73.22 110.333 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.82 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 71.14 109.268 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -36.68 76.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.31 109.249 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.27 -21.21 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 74.32 110.253 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 3.8 m -54.33 -27.01 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 73.4 110.364 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.0 t -68.8 -38.44 79.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 64.21 109.961 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 10.9 t80 -66.97 -52.93 36.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.391 1.057 . . . . 75.5 111.042 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' 2075 ' ' GLY . 1.7 t-20 -59.02 -30.52 68.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 62.32 109.337 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -79.22 -40.02 31.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 74.25 110.348 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -53.01 -35.18 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 74.44 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.551 ' CD1' HG12 ' A' 2107 ' ' VAL . 55.4 m-85 -108.58 -17.21 14.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 75.22 110.877 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.76 -46.81 0.89 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.5 1.125 . . . . 74.04 111.049 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -39.3 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 0.822 . . . . 70.15 110.284 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' 2074 ' ' TYR . 16.6 m-20 -58.32 -60.12 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 71.41 109.264 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' 2055 ' ' HIS . 23.1 mt -52.58 -39.76 61.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.2 . . . . 74.43 109.366 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.85 -45.77 78.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 71.04 111.058 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.505 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.8 tt0 -66.31 -61.39 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 74.31 110.396 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -52.95 -42.05 65.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.606 1.191 . . . . 62.22 109.36 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2082 ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.5 tt0 -57.57 -41.66 81.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 65.04 110.274 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -63.1 -38.36 90.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.44 110.276 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 94.4 m95 -72.71 -23.48 60.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 74.44 108.035 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 1.3 m -73.29 -58.7 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 73.25 108.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.499 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 6.2 ptt180 -66.86 -27.89 67.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 72.04 110.224 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -68.9 -44.54 72.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.22 109.306 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.4 OUTLIER -71.53 -37.65 71.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.591 1.182 . . . . 71.34 111.077 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.577 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -65.0 -38.03 89.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 72.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -41.33 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 74.33 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' 2087 ' ' LYS . 8.5 t -81.52 -71.61 0.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.39 1.057 . . . . 64.2 109.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 106.68 90.73 2.18 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.473 1.108 . . . . 72.23 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.82 106.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 73.41 109.319 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.5 t -46.56 -40.9 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 73.3 109.288 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -49.57 -48.2 48.78 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.465 1.103 . . . . 73.43 109.307 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -65.51 -39.25 91.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 71.24 109.321 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.55 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 4.1 tp -63.82 -46.03 86.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.396 1.06 . . . . 72.43 109.236 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -57.69 -43.13 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 64.43 110.373 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -41.25 98.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 74.44 110.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.9 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 74.04 109.342 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.414 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.0 OUTLIER -64.64 -32.13 73.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 74.41 108.089 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -51.17 61.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 75.54 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.2 mp -54.7 -49.53 70.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 71.54 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -56.54 -51.68 67.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 72.53 111.089 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -47.44 -46.22 26.45 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.529 1.143 . . . . 74.54 110.995 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.21 -40.99 99.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 62.04 109.593 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.551 HG12 ' CD1' ' A' 2074 ' ' TYR . 3.8 t -66.45 -57.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 75.44 109.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.63 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 32.4 m-85 -62.57 -29.12 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 75.3 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.6 ttm180 -74.9 -30.05 61.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 74.43 110.196 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -51.13 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.12 110.353 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.606 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 14.4 pt -47.55 -29.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 72.15 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 45.1 t -86.1 -51.23 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 73.44 109.968 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 75.23 109.334 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.43 ' CD2' ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.24 -0.652 . . . . 74.04 109.24 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.607 ' CE3' ' SD ' ' A' 2058 ' ' MET . 10.7 m0 -47.89 -43.75 28.94 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.098 . . . . 74.54 108.034 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.6 m80 -47.53 -23.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 74.22 109.517 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.0 tt0 -71.01 -35.8 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 70.3 110.234 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.5 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.1 OUTLIER -74.48 -31.53 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 74.12 110.994 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.585 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 72.7 m95 -74.01 -37.61 64.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 73.2 108.026 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' 2032 ' ' GLU . 1.7 t60 -68.88 -56.74 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.13 109.577 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 2.2 pp20? -69.47 -36.37 76.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 62.15 110.408 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' 2026 ' ' MET . . . -58.52 -65.06 3.77 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.431 1.082 . . . . 65.24 110.989 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.633 ' HB2' ' CE2' ' A' 2108 ' ' PHE . 2.7 tp -61.36 -30.53 70.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 73.32 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' 2028 ' ' HIS . 6.9 mm-40 -53.32 -52.14 60.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.32 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.08 -51.15 16.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 74.21 110.412 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.458 ' HB3' ' CB ' ' A' 2047 ' ' MET . . . -51.42 -42.66 61.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 73.24 109.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 79.3 p -72.34 -48.91 38.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 70.12 110.062 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2036 ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' 2032 ' ' GLU . 1.1 mtt85 -50.31 -51.88 41.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 73.34 110.318 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.496 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 3.9 pp -68.29 -46.88 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.068 . . . . 70.4 109.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.438 ' CB ' ' O ' ' A' 2034 ' ' ALA . 27.7 t80 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 73.32 110.991 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.263 -0.643 . . . . 72.34 109.263 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' 2097 ' ' LEU . 32.1 m -65.37 -12.42 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 75.21 109.276 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.66 -39.09 49.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.508 1.13 . . . . 74.3 109.251 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.571 ' O ' ' CG2' ' A' 2050 ' ' VAL . . . -55.5 -44.32 85.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 73.45 111.056 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.495 ' O ' ' HG ' ' A' 2051 ' ' LEU . 30.7 ttp -65.54 -55.54 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 64.04 110.923 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.588 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 31.2 m-85 -50.41 -44.99 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 74.42 110.999 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.5 pp20? -75.51 -16.52 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 71.43 110.337 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.586 ' C ' ' HD2' ' A' 2053 ' ' PRO . 3.9 t -85.1 -45.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.557 1.16 . . . . 75.25 109.35 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.6 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.3 OUTLIER -76.93 -42.58 38.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 75.3 109.294 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.6 OUTLIER -36.94 -55.04 1.68 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 45.32 110.339 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -75.03 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 72.23 111.055 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.482 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.1 OUTLIER -48.85 -56.15 9.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 75.11 109.262 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' 2051 ' ' LEU . 56.6 m170 -60.05 -52.35 65.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 73.11 109.658 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.55 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 73.41 109.317 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.553 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.23 -36.88 32.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 74.0 111.005 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.607 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -69.93 -31.67 69.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 74.03 111.053 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.53 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 72.42 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.8 ptp180 -71.2 -20.99 62.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 74.45 110.399 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.28 80.34 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 73.4 111.063 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 72.25 110.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.507 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -145.93 -76.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.52 110.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' 2063 ' ' GLN . 2.0 p -160.58 -169.05 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 74.01 110.457 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' 2065 ' ' LEU . 0.3 OUTLIER -66.69 -28.1 68.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 74.15 109.268 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.27 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 73.44 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.534 ' CG ' ' CZ3' ' A' 2023 ' ' TRP . 3.3 tp10 -76.55 -18.47 58.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 74.22 110.279 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 15.7 m -63.19 -35.85 81.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.24 110.422 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.5 m -70.76 -31.64 68.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.11 109.986 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.403 ' CE2' ' HE2' ' A' 2074 ' ' TYR . 32.0 t80 -66.18 -52.68 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 72.21 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.505 ' O ' ' CA ' ' A' 2075 ' ' GLY . 28.9 t-20 -63.5 -29.12 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 61.45 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.6 -53.2 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 74.12 110.371 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.0 -46.44 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 74.54 109.241 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.581 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.5 m-85 -97.8 -14.98 20.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 75.3 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.44 -39.42 1.15 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 74.5 111.043 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -51.74 9.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.376 0.692 . . . . 72.44 110.248 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.05 -54.15 43.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 74.41 109.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.95 -36.59 60.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 73.32 109.295 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 ttp -63.16 -47.24 83.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.15 110.94 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.483 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.8 tt0 -64.38 -58.54 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.635 1.209 . . . . 74.34 110.361 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.424 ' HB3' ' CB ' ' A' 2103 ' ' LEU . . . -53.12 -42.13 65.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.04 109.238 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.97 -39.33 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 74.13 110.309 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -37.51 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.22 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.547 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.7 m95 -68.21 -33.88 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.015 -1.105 . . . . 65.55 108.015 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.95 -55.81 12.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 73.31 108.259 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.76 -44.22 86.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 72.53 110.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.547 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.48 -34.68 75.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 62.13 109.198 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.584 ' CE2' HD13 ' A' 2097 ' ' LEU . 0.4 OUTLIER -74.92 -42.66 57.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 74.21 111.081 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.52 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 1.3 mtt -62.35 -32.34 73.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 74.15 110.956 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -48.6 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 64.15 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.9 t -77.2 -67.41 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 75.31 109.946 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 101.71 108.13 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.422 1.076 . . . . 54.35 111.019 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.46 120.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 74.03 109.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 t -56.72 -40.07 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.112 . . . . 72.41 109.31 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 15.1 tttt -49.41 -46.6 47.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 75.33 109.253 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -37.15 81.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 73.51 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.584 HD13 ' CE2' ' A' 2088 ' ' TYR . 0.4 OUTLIER -62.27 -43.72 98.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 74.11 109.293 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 27.8 m -62.89 -47.04 85.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 73.11 110.368 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2099 ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.0 OUTLIER -53.61 -51.5 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 71.14 110.215 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.05 95.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.53 109.315 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.486 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 2.3 m95 -60.54 -30.74 69.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 124.481 1.113 . . . . 75.23 108.081 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.83 -51.0 60.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 74.11 109.319 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 8.0 mp -53.76 -53.35 53.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 73.01 109.397 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -54.04 -56.17 20.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.43 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.7 OUTLIER -48.17 -35.87 12.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 64.54 110.98 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2106 ' ' HIS . . . . . 0.472 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.0 OUTLIER -64.68 -44.66 89.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 72.04 109.59 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.581 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -78.07 -37.26 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 72.3 109.307 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.633 ' CE2' ' HB2' ' A' 2031 ' ' LEU . 11.0 m-85 -71.24 -34.61 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.085 . . . . 74.01 111.039 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -80.86 -28.35 36.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 74.53 110.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2110 ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -70.68 -50.79 32.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 72.13 110.33 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.585 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 9.2 pt -42.68 -32.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 72.32 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 15.7 p -87.85 -54.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 52.25 109.949 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 73.45 109.299 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.463 HD21 ' CE1' ' A' 2024 ' ' HIS . 3.2 tp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.231 -0.655 . . . . 74.11 109.231 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.59 ' CE3' ' SD ' ' A' 2058 ' ' MET . 5.4 m0 -73.81 -51.42 16.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.44 108.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.463 ' CE1' HD21 ' A' 2022 ' ' LEU . 4.0 m80 -47.51 -22.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 75.23 109.693 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' 2029 ' ' GLU . 8.7 tp10 -72.95 -35.59 67.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 75.01 110.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -75.18 -32.05 61.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 70.22 111.046 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.592 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 70.8 m95 -72.55 -49.8 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.016 -1.105 . . . . 74.4 108.016 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.08 -58.39 8.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 70.11 109.677 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.6 pp20? -68.29 -35.15 77.42 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.419 1.074 . . . . 74.21 110.416 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.81 -64.52 4.29 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.503 1.127 . . . . 71.44 111.13 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.619 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 3.9 tp -59.9 -32.6 70.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 71.33 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' 2036 ' ' ARG . 12.5 mm-40 -53.29 -48.6 68.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.03 110.294 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -74.63 -50.18 18.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 73.45 110.19 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.526 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -51.46 -39.96 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 71.41 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' 2031 ' ' LEU . 3.2 t -76.99 -49.54 15.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 53.5 109.987 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2036 ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' 2032 ' ' GLU . 0.9 OUTLIER -49.72 -46.44 50.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 74.45 110.365 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' 2043 ' ' ASN . 4.4 pp -70.64 -46.11 63.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 64.33 109.245 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.463 ' N ' HD11 ' A' 2037 ' ' LEU . 41.8 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 74.32 111.036 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.506 ' O ' ' CD1' ' A' 2037 ' ' LEU . 1.9 m-20 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.33 -0.618 . . . . 73.13 109.33 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2044 ' ' VAL . . . . . . . . . . . . . 34.0 m -81.79 -12.85 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 71.11 109.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -33.85 64.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 72.24 109.246 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.569 ' O ' ' CG2' ' A' 2050 ' ' VAL . . . -70.44 -39.58 69.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.605 1.191 . . . . 73.34 111.048 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.564 ' HE1' ' CE1' ' A' 2048 ' ' PHE . 8.2 tmm? -64.88 -42.23 94.99 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.466 0.744 . . . . 74.11 111.016 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.609 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 11.9 m-85 -73.12 -38.32 66.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 74.42 111.039 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.539 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -76.38 -14.69 60.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.23 110.271 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.582 ' C ' ' HD2' ' A' 2053 ' ' PRO . 4.4 t -84.92 -42.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 74.53 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.7 -46.18 26.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 71.1 109.273 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.463 ' HE2' ' HB3' ' A' 2048 ' ' PHE . 0.4 OUTLIER -35.3 -54.6 1.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 63.31 110.24 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.582 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.97 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.459 1.768 . . . . 64.21 110.962 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.11 -55.76 11.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 73.23 109.281 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 61.1 m170 -60.07 -51.63 68.79 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.551 1.157 . . . . 71.24 109.669 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.92 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 71.21 109.401 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.51 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.28 -37.29 46.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 75.15 111.056 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.59 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -69.57 -31.34 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 71.15 110.978 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.29 -63.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 73.31 110.212 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' 2056 ' ' ALA . 17.4 ptp180 -72.17 -17.7 61.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.0 110.303 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.64 75.79 0.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 63.42 110.978 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.411 1.743 . . . . 71.15 110.963 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -146.33 -70.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 64.43 110.169 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' 2065 ' ' LEU . 7.9 t -161.84 -171.81 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 72.21 110.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -65.63 -34.68 78.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 74.1 109.29 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 7.1 mttp -62.63 -32.65 73.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 73.42 109.254 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.94 -19.84 28.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.051 . . . . 63.21 110.316 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 4.3 m -64.18 -34.53 78.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 71.41 110.349 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.5 t -71.29 -33.55 69.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 70.11 109.991 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' 2070 ' ' PHE . 5.4 t80 -63.45 -54.14 41.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 75.32 111.05 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 2.4 t30 -62.43 -28.75 70.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 72.53 109.373 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.65 -43.71 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 64.23 110.251 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -54.28 -44.9 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 73.54 109.186 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.1 m-85 -98.97 -9.09 24.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 70.33 110.935 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -44.33 -47.57 8.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 61.1 111.067 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2076 ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -67.39 -27.38 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 72.51 110.363 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' 2074 ' ' TYR . 6.1 m-20 -80.77 -50.35 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 71.01 109.289 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.82 -41.54 91.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 73.02 109.33 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2079 ' ' MET . . . . . 0.518 ' CG ' ' N ' ' A' 2080 ' ' GLU . 11.6 ptm -69.08 -42.55 76.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 73.02 111.043 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' 2079 ' ' MET . 1.4 tt0 -67.05 -56.55 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 74.51 110.241 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.504 ' HA ' ' CD1' ' A' 2103 ' ' LEU . . . -55.22 -41.83 72.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 63.52 109.211 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.63 -42.64 79.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 65.12 110.289 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.443 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.92 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.379 1.049 . . . . 75.31 110.301 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.21 -34.73 78.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 74.23 108.052 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.609 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.9 t -60.66 -55.78 29.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 74.45 108.325 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -32.16 65.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 75.23 110.18 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' 2091 ' ' SER . 9.3 mttt -61.41 -49.93 74.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 73.42 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.449 ' O ' ' HA2' ' A' 2092 ' ' GLY . 5.0 t80 -72.59 -31.89 65.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 73.41 110.918 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.55 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -67.3 -36.74 82.14 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.535 1.147 . . . . 75.33 110.925 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 -57.03 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.173 . . . . 73.03 109.341 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.1 t -63.23 -63.94 1.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 74.31 110.031 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 100.29 77.66 1.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 72.01 110.959 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.49 116.89 6.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.795 . . . . 75.05 109.33 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 t -54.97 -35.95 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 73.32 109.292 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -49.82 -51.6 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 73.33 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.24 109.225 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.439 HD23 ' CZ ' ' A' 2088 ' ' TYR . 2.5 tp -63.62 -46.85 83.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 73.33 109.262 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.0 m -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.43 110.422 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 73.12 110.392 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2100 ' ' ALA . . . . . 0.441 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -61.62 -39.89 92.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 72.04 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.474 ' CH2' HD11 ' A' 2031 ' ' LEU . 0.5 OUTLIER -68.42 -30.43 69.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.956 -1.127 . . . . 74.45 107.956 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.34 -50.38 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.34 109.27 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 13.7 mt -54.93 -51.67 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 65.35 109.359 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.486 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 19.0 m-85 -53.57 -56.27 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 71.44 111.048 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.507 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.54 -37.14 25.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 74.33 110.995 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.04 79.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 74.52 109.558 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -72.3 -48.45 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 70.21 109.345 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.619 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 14.5 m-85 -60.99 -29.8 69.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 74.41 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.5 tpt180 -77.14 -39.35 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.43 110.231 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -51.44 69.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 75.13 110.371 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.517 ' CG1' ' O ' ' A' 2108 ' ' PHE . 14.5 pt -46.79 -27.84 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 65.03 109.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 2.0 p -93.93 -50.62 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 55.41 110.025 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2113 ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' 2113 ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 73.14 109.253 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.497 HD12 ' CE1' ' A' 2024 ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.388 -0.597 . . . . 73.35 109.388 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.672 ' CD2' ' CE ' ' A' 2058 ' ' MET . 1.4 m0 -57.59 -48.35 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.951 -1.129 . . . . 73.32 107.951 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.497 ' CE1' HD12 ' A' 2022 ' ' LEU . 11.8 m80 -47.76 -30.46 3.94 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.567 1.167 . . . . 64.52 109.652 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' 2029 ' ' GLU . 4.5 tp10 -69.67 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.134 . . . . 70.32 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.3 OUTLIER -70.97 -39.43 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 74.22 111.007 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.691 ' CD1' ' SD ' ' A' 2026 ' ' MET . 63.3 m95 -65.5 -50.98 63.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.55 107.912 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -52.9 -54.06 40.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.3 109.571 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' 2028 ' ' HIS . 4.1 mm-40 -67.29 -43.54 81.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 72.02 110.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.477 ' HA3' ' CD2' ' A' 2054 ' ' LEU . . . -53.86 -65.23 3.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 75.03 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.601 HD22 ' CD2' ' A' 2108 ' ' PHE . 3.3 tp -58.75 -30.61 67.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 0.793 . . . . 75.03 109.29 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' 2028 ' ' HIS . 0.7 OUTLIER -54.03 -50.92 65.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 72.21 110.396 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.05 -51.57 13.2 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.525 1.14 . . . . 64.43 110.263 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -52.06 -43.96 64.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.411 1.069 . . . . 74.13 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' 2031 ' ' LEU . 60.1 p -72.36 -51.26 21.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 72.34 110.068 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2036 ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' 2032 ' ' GLU . 0.0 OUTLIER -50.5 -50.01 53.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 75.22 110.326 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' 2038 ' ' TYR . 4.2 pp -67.91 -45.08 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 72.53 109.302 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.424 ' N ' HD13 ' A' 2037 ' ' LEU . 46.7 t80 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 74.23 110.981 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.434 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 11.5 m-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.629 . . . . 74.1 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2044 ' ' VAL . . . . . . . . . . . . . 30.8 m -81.95 -26.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 74.33 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.434 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.25 -39.35 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 75.21 109.26 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -61.74 -52.09 53.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.427 1.079 . . . . 73.12 111.004 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.563 ' HE1' ' CD2' ' A' 2048 ' ' PHE . 5.9 tmm? -52.6 -41.35 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 71.32 110.988 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.638 ' CE2' ' CE2' ' A' 2088 ' ' TYR . 31.5 m-85 -67.7 -38.09 83.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 70.44 111.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.517 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.2 mt-10 -75.16 -15.1 60.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.384 1.053 . . . . 71.53 110.369 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.538 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.6 t -84.07 -45.58 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.614 1.196 . . . . 64.03 109.368 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.611 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -75.92 -43.48 44.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 75.32 109.264 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.499 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 1.6 mt-10 -35.16 -57.03 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 74.02 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.538 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.93 -46.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.438 1.757 . . . . 73.41 111.022 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.519 ' HG ' ' CG ' ' A' 2026 ' ' MET . 0.2 OUTLIER -49.63 -56.12 11.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.561 1.163 . . . . 74.13 109.289 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 47.2 m170 -60.25 -52.54 64.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 73.51 109.556 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.56 -51.03 39.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 73.43 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' 2026 ' ' MET . 0.0 OUTLIER -51.71 -39.93 59.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 63.5 111.068 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.672 ' CE ' ' CD2' ' A' 2023 ' ' TRP . 0.4 OUTLIER -73.41 -25.87 60.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 70.35 110.966 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.7 mt-10 -77.85 -63.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.649 1.218 . . . . 74.5 110.364 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' 2056 ' ' ALA . 19.1 ptt180 -68.02 -27.14 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.13 110.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -131.77 91.09 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 75.21 111.002 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.496 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -75.04 -96.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.812 . . . . 75.3 110.925 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' 2062 ' ' PRO . 0.0 OUTLIER 177.39 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.459 1.099 . . . . 72.42 110.273 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' 2065 ' ' LEU . 2.1 t -163.49 177.4 8.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.15 110.457 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -58.7 -26.56 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.629 1.206 . . . . 73.14 109.33 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -67.99 -52.78 31.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 71.11 109.312 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -68.8 -23.76 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.345 1.028 . . . . 61.15 110.357 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 27.8 m -55.11 -26.95 41.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 74.23 110.449 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 33.9 t -74.05 -33.75 63.82 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.458 1.099 . . . . 65.1 109.916 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.419 ' CE2' ' CE3' ' A' 2023 ' ' TRP . 5.1 t80 -72.39 -53.52 12.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 75.11 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' 2075 ' ' GLY . 18.3 t-20 -54.84 -31.7 59.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.607 1.192 . . . . 74.35 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -41.28 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 54.55 110.381 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.45 89.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.11 109.24 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.51 ' CD2' ' HB ' ' A' 2107 ' ' VAL . 2.0 m-85 -91.38 -19.72 22.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 75.13 110.994 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' 2074 ' ' TYR . . . -34.82 -48.87 0.73 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 72.41 110.978 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -72.81 -43.61 62.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 75.41 110.355 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 2074 ' ' TYR . 11.9 m-20 -56.21 -65.61 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.5 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' 2082 ' ' GLN . 8.0 mt -52.54 -33.59 46.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.25 109.389 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2079 ' ' MET . . . . . 0.426 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.9 mtt -57.58 -47.32 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.42 111.001 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -66.49 -56.64 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 74.53 110.407 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.47 ' N ' HD13 ' A' 2103 ' ' LEU . . . -57.0 -41.69 78.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 75.21 109.304 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2082 ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -62.05 -35.02 77.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.311 1.007 . . . . 75.41 110.358 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.526 ' HA ' ' HD3' ' A' 2086 ' ' ARG . 0.0 OUTLIER -67.51 -37.47 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 65.41 110.276 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.419 ' HA ' ' HB3' ' A' 2087 ' ' LYS . 99.1 m95 -76.11 -21.0 57.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 72.11 107.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 3.3 t -70.68 -60.34 2.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 73.31 108.317 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.526 ' HD3' ' HA ' ' A' 2083 ' ' GLU . 2.6 ptt-85 -66.26 -27.36 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 75.54 110.343 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -69.32 -35.66 76.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.579 1.175 . . . . 73.43 109.32 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.762 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 6.9 t80 -73.22 -46.3 51.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 74.45 111.013 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -33.93 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 73.52 111.01 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -49.56 7.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 72.4 109.297 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.2 t -78.79 -69.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 75.41 110.03 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.26 92.06 2.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 70.5 111.064 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.3 130.74 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 65.43 109.209 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -64.93 -50.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 75.02 109.365 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -49.3 -48.57 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 74.44 109.364 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.762 ' HD2' ' HB2' ' A' 2088 ' ' TYR . 0.0 OUTLIER -64.6 -44.46 90.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 72.02 109.282 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.587 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 3.0 tp -53.56 -49.99 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 75.03 109.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 55.0 m -59.68 -39.09 83.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 75.22 110.341 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.53 -47.81 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 73.53 110.289 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.26 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 55.21 109.306 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -31.32 66.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.571 1.169 . . . . 74.15 108.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -50.69 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 70.32 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' 2081 ' ' ALA . 16.8 mt -55.7 -50.36 70.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 74.1 109.264 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.422 ' O ' HG22 ' A' 2107 ' ' VAL . 9.4 m-85 -54.25 -55.28 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 63.22 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.13 -39.85 30.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 72.31 110.963 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -47.76 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 72.21 109.631 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.51 ' HB ' ' CD2' ' A' 2074 ' ' TYR . 0.6 OUTLIER -71.35 -48.51 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 72.02 109.293 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.601 ' CD2' HD22 ' A' 2031 ' ' LEU . 12.0 m-85 -59.75 -31.06 69.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 73.15 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' 2105 ' ' TYR . 14.0 ttp180 -77.95 -35.01 50.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 73.11 110.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -52.11 63.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.416 1.072 . . . . 73.41 110.331 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.595 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 12.6 pt -44.61 -34.7 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 75.2 109.253 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2112 ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.6 OUTLIER -79.73 -53.41 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 73.22 109.939 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2113 ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' 2112 ' ' SER . 8.6 mptt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 74.54 109.375 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.304 -0.628 . . . . 72.1 109.304 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.551 ' CE3' ' OE1' ' A' 2067 ' ' GLU . 5.7 m0 -51.98 -54.74 26.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.452 1.095 . . . . 74.22 108.1 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.8 m170 -47.35 -22.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 75.22 109.578 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' 2022 ' ' LEU . 6.4 tp10 -72.3 -38.67 68.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 63.11 110.331 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.92 -31.53 66.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.143 . . . . 75.32 111.053 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.494 ' N ' ' HG3' ' A' 2026 ' ' MET . 57.0 m95 -69.25 -50.54 46.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 75.44 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -56.36 -53.73 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 72.21 109.693 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.9 mm-40 -65.51 -38.56 90.05 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.51 1.131 . . . . 73.11 110.266 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.415 ' O ' HG12 ' A' 2050 ' ' VAL . . . -55.16 -65.32 3.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.375 1.047 . . . . 71.44 110.903 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.753 ' HG ' ' CE2' ' A' 2108 ' ' PHE . 6.9 mt -58.12 -31.08 66.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 74.51 109.36 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.87 -50.54 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.488 ' N ' ' HG2' ' A' 2032 ' ' GLU . 2.7 tt0 -73.57 -45.79 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 74.34 110.326 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.449 ' CB ' ' HG2' ' A' 2047 ' ' MET . . . -55.4 -49.43 72.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 63.1 109.262 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 22.8 p -60.4 -43.81 96.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 74.12 109.922 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -55.96 -37.51 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.11 110.337 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2037 ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.61 -34.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.386 1.054 . . . . 64.12 109.313 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 84.0 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 73.11 111.012 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.526 ' ND2' ' CG ' ' A' 2045 ' ' LYS . 2.2 t30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.241 -0.652 . . . . 71.34 109.241 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.584 HG13 ' CE2' ' A' 2048 ' ' PHE . 6.4 t -68.15 -21.64 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 73.35 109.294 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.526 ' CG ' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -52.9 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 75.12 109.322 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -52.97 -54.69 27.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.409 1.068 . . . . 73.41 111.059 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' 2047 ' ' MET . 12.5 tmm? -54.72 -49.05 71.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.426 0.721 . . . . 74.43 111.006 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.619 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.6 m-85 -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 74.33 110.949 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.8 mm-40 -76.24 -13.74 60.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 72.44 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.575 ' C ' ' HD2' ' A' 2053 ' ' PRO . 24.2 t -83.28 -44.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.652 1.22 . . . . 61.23 109.358 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.623 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.83 -45.47 28.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 74.02 109.295 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.5 mm-40 -34.5 -54.63 0.92 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.595 1.184 . . . . 74.43 110.305 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.575 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.8 Cg_endo -75.1 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.587 1.835 . . . . 64.42 110.915 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.509 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -49.29 -55.76 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.331 1.019 . . . . 73.24 109.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 52.2 m170 -59.85 -51.88 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 74.41 109.562 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.16 -49.62 63.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.512 1.133 . . . . 54.22 109.344 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.63 -37.63 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 63.33 110.974 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.534 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -68.15 -35.83 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 64.41 110.967 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.99 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 71.44 110.33 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.5 ptm85 -69.97 -22.04 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 71.55 110.335 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.93 80.67 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 72.14 111.042 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -161.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.579 1.831 . . . . 70.33 111.038 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.404 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 2.8 mm-40 -142.58 -68.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.542 1.152 . . . . 72.43 110.38 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 5.1 t -176.51 172.29 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 73.45 110.381 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.77 -29.47 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 62.41 109.228 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.3 mttp -67.05 -51.53 53.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 74.35 109.341 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.551 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 7.7 mm-40 -70.73 -25.05 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.54 110.281 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 18.1 m -54.53 -34.33 61.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 74.21 110.37 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -41.54 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 73.44 110.089 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 9.2 t80 -61.94 -53.64 52.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 72.45 110.999 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 4.7 t30 -58.42 -30.65 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 71.03 109.32 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -79.56 -35.34 39.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 52.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -58.98 -27.97 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 73.4 109.25 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.48 ' CD1' HG12 ' A' 2107 ' ' VAL . 56.1 m-85 -114.33 -18.02 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 73.13 110.993 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.45 -43.57 0.54 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.401 1.063 . . . . 75.05 110.921 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -41.91 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 75.03 110.343 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.2 m-20 -57.92 -61.89 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 71.34 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' 2082 ' ' GLN . 29.6 mt -51.78 -35.84 45.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 74.03 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.41 81.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 63.04 111.033 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.5 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 39.7 tt0 -64.33 -60.05 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 70.41 110.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.571 ' HB1' ' CE1' ' A' 2104 ' ' TYR . . . -52.37 -41.95 63.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 52.44 109.369 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2082 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.3 tt0 -59.02 -39.17 81.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 72.21 110.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.511 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.08 -35.71 82.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 75.5 110.182 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.477 ' HB2' ' CB ' ' A' 2100 ' ' ALA . 97.1 m95 -74.88 -24.06 58.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.975 -1.12 . . . . 74.43 107.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.619 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -69.75 -58.93 3.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 74.22 108.349 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.511 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.5 OUTLIER -64.8 -27.78 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.41 110.307 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.439 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.57 -35.07 72.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 71.51 109.376 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.755 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 16.0 t80 -74.82 -51.32 14.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 74.32 110.991 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.43 ' HE1' ' CD2' ' A' 2048 ' ' PHE . 3.6 mtt -59.69 -34.29 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 73.55 110.941 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.455 ' O ' ' HD3' ' A' 2090 ' ' LYS . 0.0 OUTLIER -68.49 -59.02 3.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 71.12 109.233 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.76 70.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 65.14 110.057 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -118.6 -150.39 8.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.585 1.178 . . . . 74.11 110.955 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t30 -147.66 159.45 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.395 0.703 . . . . 72.44 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.93 -41.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 75.34 109.207 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -49.48 50.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 53.32 109.289 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.755 ' HD2' ' HB2' ' A' 2088 ' ' TYR . 0.0 OUTLIER -64.82 -42.48 94.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 65.1 109.269 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -58.6 -45.05 89.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 71.41 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 22.6 m -59.5 -46.82 87.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 72.21 110.399 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2099 ' ' GLN . . . . . 0.412 ' NE2' HD11 ' A' 2103 ' ' LEU . 0.0 OUTLIER -55.07 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 74.04 110.213 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2100 ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' 2084 ' ' TRP . . . -56.58 -41.57 77.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 64.33 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.67 ' CH2' ' CD2' ' A' 2031 ' ' LEU . 0.0 OUTLIER -65.33 -33.99 77.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.879 -1.156 . . . . 71.12 107.879 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -50.34 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 71.23 109.253 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.5 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.1 mp -59.45 -49.19 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.51 109.282 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.571 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 11.3 m-85 -59.25 -50.22 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 65.12 110.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2105 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.52 -48.17 38.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 71.32 110.965 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.045 . . . . 75.2 109.567 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' 2074 ' ' TYR . 2.8 t -62.51 -56.61 16.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 70.04 109.243 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.753 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 36.8 m-85 -65.33 -28.23 69.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 74.14 111.001 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2109 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -25.34 57.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.383 1.052 . . . . 72.43 110.282 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -51.46 10.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.3 110.319 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 13.6 pt -44.71 -30.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 75.53 109.292 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 6.1 t -86.24 -54.58 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 53.32 109.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 72.12 109.246 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.31 -0.626 . . . . 74.21 109.31 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.532 ' CD2' ' HE2' ' A' 2058 ' ' MET . 4.9 m0 -69.89 -51.23 34.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 73.32 107.973 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.9 m80 -46.11 -23.21 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 74.13 109.613 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' 2029 ' ' GLU . 3.4 tt0 -70.41 -40.55 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 73.42 110.271 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.521 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -69.36 -32.37 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 73.24 110.962 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.599 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 61.2 m95 -68.2 -50.68 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.957 -1.127 . . . . 74.35 107.957 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.421 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -60.94 -53.17 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 74.53 109.695 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' 2025 ' ' GLU . 4.0 mm-40 -58.79 -44.92 90.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.22 110.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.464 ' CA ' HD22 ' A' 2054 ' ' LEU . . . -51.33 -63.78 4.36 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.462 1.101 . . . . 72.31 111.068 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.775 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 5.4 mt -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 0.702 . . . . 74.54 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -55.13 31.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 70.52 110.317 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.406 ' O ' HD11 ' A' 2037 ' ' LEU . 5.3 tt0 -72.73 -46.42 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 74.35 110.353 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.444 ' HB3' ' CB ' ' A' 2047 ' ' MET . . . -52.51 -48.96 65.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 73.11 109.283 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 84.0 p -62.12 -41.75 98.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 73.31 110.031 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -35.24 69.74 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.43 1.081 . . . . 72.41 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.499 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 1.5 mt -70.69 -45.63 64.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 74.32 109.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 48.7 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 74.21 111.078 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.266 -0.642 . . . . 74.45 109.266 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' 2048 ' ' PHE . 41.8 t -64.15 -21.46 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.498 1.123 . . . . 73.22 109.282 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.29 -41.19 60.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.37 1.044 . . . . 73.21 109.249 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.499 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -52.83 -54.49 28.06 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 72.32 111.078 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.495 ' CE ' HG12 ' A' 2044 ' ' VAL . 10.6 tmm? -57.13 -51.82 67.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 74.13 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' 2044 ' ' VAL . 9.4 m-85 -51.42 -45.18 62.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 72.1 111.015 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 7.5 pt-20 -74.26 -15.09 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.14 110.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.576 ' C ' ' HD2' ' A' 2053 ' ' PRO . 46.1 t -85.64 -44.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.327 1.017 . . . . 72.31 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.569 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.3 OUTLIER -77.07 -42.54 37.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 73.31 109.276 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' A' 2048 ' ' PHE . 2.8 mt-10 -37.97 -55.15 2.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 73.43 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.1 Cg_endo -75.04 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.389 1.731 . . . . 64.24 110.981 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.51 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -47.77 -55.55 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.22 109.312 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 67.6 m170 -60.43 -52.57 64.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 62.21 109.653 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.12 -51.29 58.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 74.21 109.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.528 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.14 -38.56 39.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 75.14 110.977 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.532 ' HE2' ' CD2' ' A' 2023 ' ' TRP . 3.5 mmt -70.19 -30.5 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.387 1.054 . . . . 74.01 110.958 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.8 mt-10 -77.98 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 64.04 110.355 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' 2056 ' ' ALA . 9.7 ptm180 -72.57 -19.88 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 73.53 110.353 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.26 84.28 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 72.31 110.938 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.05 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.457 1.767 . . . . 65.35 110.968 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -68.41 0.33 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.566 1.166 . . . . 74.34 110.354 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' 2065 ' ' LEU . 1.4 t -175.21 174.18 2.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.451 1.095 . . . . 73.5 110.352 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.3 OUTLIER -57.49 -28.54 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 70.11 109.301 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 6.1 tptt -68.01 -35.61 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 74.11 109.335 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.6 -19.3 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 71.05 110.33 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 2.6 m -54.34 -36.29 63.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 71.04 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -37.03 86.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 72.41 110.084 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' 2071 ' ' ASN . 0.6 OUTLIER -71.18 -52.09 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.1 110.958 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.505 ' N ' ' CD1' ' A' 2070 ' ' PHE . 1.6 t-20 -54.08 -32.99 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 71.35 109.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -79.2 -42.31 26.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.54 110.222 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -49.08 -39.16 26.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 72.33 109.292 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' 2075 ' ' GLY . 54.5 m-85 -106.07 -18.02 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.52 110.977 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -36.7 -45.73 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 73.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -42.73 23.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 72.32 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.24 -60.91 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.23 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' 2082 ' ' GLN . 21.6 mt -51.88 -36.25 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 74.34 109.201 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -48.22 82.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 64.13 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.33 110.311 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' 2104 ' ' TYR . . . -53.53 -41.91 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 72.2 109.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2082 ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.3 tp60 -55.55 -43.27 75.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 73.51 110.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -35.84 81.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.34 110.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.6 ' CE3' ' NZ ' ' A' 2087 ' ' LYS . 91.4 m95 -64.7 -33.48 76.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.02 107.97 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 7.7 t -67.44 -56.62 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.04 108.236 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.14 -37.47 66.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 73.53 110.253 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.6 ' NZ ' ' CE3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -63.85 -40.86 97.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.15 109.335 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.581 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.5 OUTLIER -73.66 -37.8 65.17 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.536 1.147 . . . . 64.3 111.023 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.537 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 1.3 mtt -65.0 -33.43 76.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 64.35 111.035 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.0 -42.92 10.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.664 1.227 . . . . 74.11 109.192 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 2.7 t -83.42 -69.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 64.12 110.011 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.17 89.56 2.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 53.0 111.038 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -159.4 120.07 3.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.41 109.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -50.76 -39.45 18.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 72.25 109.303 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -51.63 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 72.54 109.33 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -36.92 85.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 74.01 109.215 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.581 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 0.8 OUTLIER -63.26 -48.56 77.65 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.5 1.125 . . . . 70.24 109.342 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 54.9 m -57.45 -41.39 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.1 110.439 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2099 ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.65 -45.41 94.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 53.13 110.228 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.56 82.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 71.22 109.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -30.39 71.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 75.25 107.961 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -50.57 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 74.3 109.324 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 10.7 mt -57.07 -45.46 83.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 74.2 109.334 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.568 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 15.8 m-85 -63.79 -46.77 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 73.32 111.043 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.489 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.51 -49.94 33.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 75.14 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -62.53 -43.55 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 73.43 109.665 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' 2074 ' ' TYR . 2.6 t -62.83 -56.94 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.418 1.074 . . . . 73.42 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.775 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 23.2 m-85 -64.09 -27.9 69.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 73.55 110.978 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' 2105 ' ' TYR . 14.9 ttm-85 -74.2 -25.73 59.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 73.35 110.353 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -52.01 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 62.35 110.272 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.512 HD13 ' CD2' ' A' 2027 ' ' TRP . 0.5 OUTLIER -56.48 -19.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 74.44 109.255 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -46.01 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 64.03 109.933 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.32 109.25 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.327 -0.62 . . . . 73.22 109.327 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.596 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.4 m0 -71.56 -51.82 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 75.42 107.916 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.4 m80 -47.01 -24.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 70.41 109.554 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' 2023 ' ' TRP . 31.5 tt0 -70.73 -35.39 72.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 74.22 110.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -73.1 -32.57 65.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 72.44 110.968 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.499 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 62.6 m95 -69.03 -50.36 49.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.35 107.965 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.1 OUTLIER -55.64 -54.61 42.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 62.43 109.609 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.63 -43.95 87.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 73.52 110.323 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -55.31 -64.03 4.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 63.11 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.623 ' HB2' ' CE1' ' A' 2108 ' ' PHE . 5.3 tp -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 74.14 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' 2028 ' ' HIS . 4.7 mm-40 -54.19 -53.36 54.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 72.22 110.292 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -51.0 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 75.11 110.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2034 ' ' ALA . . . . . . . . . . . . . . . -54.15 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 73.05 109.281 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' 2031 ' ' LEU . 85.1 p -57.78 -48.97 78.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 64.44 110.062 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -52.74 -37.53 59.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 72.12 110.24 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2037 ' ' LEU . . . . . . . . . . . . . 6.6 mt -71.57 -33.62 69.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 75.53 109.275 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.336 1.022 . . . . 73.12 110.952 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.302 -0.629 . . . . 70.41 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.7 t -45.6 -31.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 72.42 109.275 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.504 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -52.16 -36.74 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.621 1.201 . . . . 74.41 109.393 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' 2045 ' ' LYS . . . -59.64 -53.83 42.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 71.54 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.529 ' HE1' ' CE1' ' A' 2048 ' ' PHE . 7.2 tmm? -52.25 -47.66 65.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 0.73 . . . . 74.41 111.039 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.657 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 13.9 m-85 -63.8 -36.0 82.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 73.33 110.999 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.545 ' O ' ' CD ' ' A' 2053 ' ' PRO . 1.8 mm-40 -74.22 -15.13 61.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 72.43 110.231 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.57 ' C ' ' HD2' ' A' 2053 ' ' PRO . 0.5 OUTLIER -83.82 -44.84 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 74.12 109.362 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.528 HD12 ' CG1' ' A' 2050 ' ' VAL . 0.4 OUTLIER -77.15 -45.93 25.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 75.34 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.1 OUTLIER -34.31 -54.62 0.88 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 65.33 110.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.57 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.02 -51.52 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 72.34 111.035 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.42 ' HB3' ' SD ' ' A' 2026 ' ' MET . 70.1 mt -50.05 -56.53 10.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.509 1.131 . . . . 75.03 109.341 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' 2051 ' ' LEU . 28.9 m170 -58.29 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 74.32 109.584 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.79 -48.45 63.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.517 1.136 . . . . 64.43 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.483 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.7 -37.86 52.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 75.42 111.013 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.596 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.3 OUTLIER -70.68 -35.33 72.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 64.11 110.956 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.4 mm-40 -69.02 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 74.54 110.366 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' 2056 ' ' ALA . 34.2 ptt180 -71.48 -34.54 70.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.36 1.038 . . . . 74.2 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.5 78.59 0.28 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 70.32 111.034 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.406 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.93 -94.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.783 . . . . 71.23 111.015 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.473 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.8 OUTLIER 176.09 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 70.25 110.32 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' 2065 ' ' LEU . 3.0 t -176.65 176.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 72.32 110.361 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.422 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.2 OUTLIER -48.6 -26.22 2.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 74.14 109.293 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -52.36 26.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 73.34 109.353 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.473 ' HG3' ' CB ' ' A' 2063 ' ' GLN . 23.3 mm-40 -72.91 -19.83 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 62.33 110.269 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.8 m -54.09 -34.58 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 54.0 110.427 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -34.98 63.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.066 . . . . 74.45 109.957 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.642 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 4.4 t80 -66.6 -54.24 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 75.32 110.968 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 2075 ' ' GLY . 5.6 t-20 -56.86 -30.34 63.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 74.54 109.311 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.55 -35.54 63.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 71.45 110.304 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.75 77.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 72.43 109.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.642 ' CE2' ' CE1' ' A' 2070 ' ' PHE . 27.3 m-85 -93.75 -19.94 20.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 74.42 111.028 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.42 -40.92 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 70.51 110.983 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -80.92 -55.49 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.383 0.696 . . . . 74.3 110.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.33 -59.5 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 74.14 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.19 -37.14 53.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.03 109.346 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2079 ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -55.92 -48.01 76.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 71.34 111.012 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.52 -54.8 30.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 1.163 . . . . 71.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.487 ' CA ' HD12 ' A' 2103 ' ' LEU . . . -58.25 -41.36 84.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 71.24 109.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -34.19 73.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.487 1.117 . . . . 75.52 110.294 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -70.67 -38.14 73.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.33 110.412 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.0 m95 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 75.33 107.957 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 17.2 m -75.06 -58.59 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 73.34 108.215 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.531 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 3.4 ptt85 -66.29 -27.47 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 74.12 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.56 -48.35 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 70.35 109.277 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.534 ' CZ ' HD22 ' A' 2097 ' ' LEU . 6.0 t80 -67.31 -34.59 77.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 61.24 111.018 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.633 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -69.73 -35.91 75.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 74.02 110.918 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -68.04 -58.16 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 71.44 109.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.22 67.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.41 109.97 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -114.76 -141.3 7.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.409 1.068 . . . . 73.24 111.035 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.13 162.92 36.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 74.43 109.236 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.46 -42.31 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 74.24 109.338 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2095 ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -49.76 -34.13 18.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 73.52 109.283 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' 2095 ' ' LYS . 12.9 m-20 -75.93 -43.72 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 70.2 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.534 HD22 ' CZ ' ' A' 2088 ' ' TYR . 2.5 tp -60.68 -44.21 96.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.14 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -64.41 -44.14 92.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 71.12 110.383 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -54.91 -44.39 74.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 75.22 110.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2100 ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' 2104 ' ' TYR . . . -63.84 -43.39 96.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 72.21 109.309 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.506 ' CH2' HD12 ' A' 2031 ' ' LEU . 1.1 m95 -59.8 -31.62 69.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 70.53 107.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -51.06 48.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 72.52 109.338 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.487 HD12 ' CA ' ' A' 2081 ' ' ALA . 17.4 mt -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.341 1.026 . . . . 65.42 109.305 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.457 ' O ' HG22 ' A' 2107 ' ' VAL . 3.3 m-85 -57.41 -56.19 25.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.19 . . . . 73.14 110.973 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.549 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.84 -37.01 18.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 74.32 110.923 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -55.54 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.43 1.081 . . . . 70.34 109.612 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' 2104 ' ' TYR . 1.5 m -66.78 -45.92 86.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 75.01 109.339 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.623 ' CE1' ' HB2' ' A' 2031 ' ' LEU . 11.2 m-85 -63.09 -30.31 71.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 75.24 111.015 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' 2105 ' ' TYR . 3.5 ttt180 -80.04 -29.04 39.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 74.41 110.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -70.75 -52.32 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 74.12 110.319 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.534 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 5.6 pt -44.09 -34.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 75.21 109.334 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.4 m -84.41 -54.56 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 71.34 110.012 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 74.44 109.215 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.424 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.425 -0.583 . . . . 74.03 109.425 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.543 ' CG ' ' HE2' ' A' 2058 ' ' MET . 9.7 m0 -50.15 -48.32 53.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.989 -1.115 . . . . 74.44 107.989 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.628 ' NE2' ' CZ ' ' A' 2070 ' ' PHE . 7.4 m80 -48.35 -25.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 64.41 109.647 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' A' 2022 ' ' LEU . 55.6 tt0 -70.62 -33.32 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.053 . . . . 52.31 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.489 ' SD ' ' CD2' ' A' 2054 ' ' LEU . 0.0 OUTLIER -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 73.22 110.998 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.611 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 63.4 m95 -70.92 -51.6 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 73.42 108.063 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.435 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.2 OUTLIER -58.79 -58.85 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 71.35 109.65 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 5.4 pt-20 -59.94 -29.79 68.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 75.31 110.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.45 -64.53 4.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 72.54 110.959 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.753 ' HG ' ' CE2' ' A' 2108 ' ' PHE . 71.6 mt -63.66 -31.9 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 0.721 . . . . 64.21 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' 2028 ' ' HIS . 2.3 mm-40 -52.14 -51.55 57.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.383 1.052 . . . . 72.15 110.353 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.49 -49.16 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 73.34 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -51.98 -48.91 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.607 1.192 . . . . 65.35 109.367 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' 2031 ' ' LEU . 13.0 t -67.66 -41.71 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 71.21 109.992 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2036 ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' 2032 ' ' GLU . 0.0 OUTLIER -50.32 -52.42 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 72.13 110.296 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.539 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 4.2 pp -71.46 -39.82 70.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 74.43 109.242 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.484 ' N ' HD13 ' A' 2037 ' ' LEU . 36.9 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 71.11 110.948 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.245 -0.65 . . . . 74.25 109.245 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.593 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 48.7 t -66.94 -21.16 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 74.51 109.344 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -39.06 56.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.426 1.079 . . . . 73.24 109.247 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.539 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -53.4 -53.43 35.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 70.43 111.032 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.548 ' SD ' ' NE1' ' A' 2101 ' ' TRP . 27.5 ttp -61.35 -43.45 98.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 64.23 111.092 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.656 ' CD2' ' CE ' ' A' 2089 ' ' MET . 8.1 m-85 -61.89 -42.1 98.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 74.45 110.988 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.57 ' O ' ' CD ' ' A' 2053 ' ' PRO . 12.1 pt-20 -75.87 -13.24 60.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 75.3 110.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.562 ' C ' ' HD2' ' A' 2053 ' ' PRO . 20.4 t -83.1 -44.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.445 1.091 . . . . 74.15 109.318 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.619 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.86 -46.03 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 73.22 109.303 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.15 -55.48 0.81 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 72.01 110.297 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.57 ' CD ' ' O ' ' A' 2049 ' ' GLU . 17.7 Cg_endo -75.13 -50.58 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.543 1.812 . . . . 65.42 110.962 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.489 ' CD2' ' SD ' ' A' 2026 ' ' MET . 14.9 mt -49.19 -56.93 7.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 74.5 109.357 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' 2051 ' ' LEU . 40.5 m170 -59.49 -52.16 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 74.11 109.623 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.15 -48.14 61.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 73.24 109.26 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 73.54 111.011 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.543 ' HE2' ' CG ' ' A' 2023 ' ' TRP . 0.6 OUTLIER -68.61 -33.5 74.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 74.21 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.4 mm-40 -71.77 -63.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 74.31 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.2 ptt85 -72.81 -16.68 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 74.43 110.235 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' 2057 ' ' MET . . . -119.06 76.11 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.557 1.16 . . . . 71.32 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -74.95 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.467 1.772 . . . . 75.34 111.032 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.454 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 1.7 tt0 -147.56 -70.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.33 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 4.1 t -172.66 170.85 4.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 71.04 110.433 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' 2068 ' ' THR . 3.1 mm? -55.98 -27.65 53.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 75.31 109.331 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -68.18 -34.75 76.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 75.33 109.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 2.1 tp10 -84.59 -22.49 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 75.35 110.31 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.3 m -54.44 -45.04 72.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 73.11 110.413 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2069 ' ' SER . . . . . 0.423 ' HA ' ' NE2' ' A' 2072 ' ' GLN . 0.6 OUTLIER -53.42 -34.8 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 71.21 109.984 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.628 ' CZ ' ' NE2' ' A' 2024 ' ' HIS . 0.9 OUTLIER -74.27 -53.29 10.03 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 74.35 110.98 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' 2075 ' ' GLY . 14.1 t30 -60.83 -32.89 72.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 60.24 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2072 ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' 2069 ' ' SER . 3.1 pt20 -79.93 -39.8 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.497 1.123 . . . . 74.41 110.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.35 -28.41 7.92 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 1.121 . . . . 72.44 109.316 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.559 ' CD1' HG12 ' A' 2107 ' ' VAL . 52.3 m-85 -116.17 -22.99 8.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 64.31 111.043 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.43 -33.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.593 1.183 . . . . 61.54 111.123 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2076 ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.4 tpt180 -80.12 -51.25 9.23 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.527 0.781 . . . . 74.12 110.363 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.2 m-20 -57.64 -50.99 71.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 73.33 109.341 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 36.1 mt -52.6 -33.75 47.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 75.53 109.418 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -48.58 63.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 72.11 111.007 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 10.8 tt0 -60.24 -57.93 10.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 64.34 110.317 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.06 -42.12 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 75.33 109.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -41.01 79.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.414 1.071 . . . . 71.41 110.287 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.542 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -63.13 -38.26 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 72.32 110.394 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 95.2 m95 -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 75.45 107.992 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 70.8 m -74.62 -59.54 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 62.14 108.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.542 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 7.5 ptt180 -62.83 -33.63 75.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 73.33 110.291 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -66.71 -42.22 86.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 72.43 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.569 ' CE2' HD13 ' A' 2097 ' ' LEU . 0.8 OUTLIER -71.86 -39.44 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 73.14 111.025 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.656 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.5 mtt -60.52 -41.82 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.3 111.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -48.8 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 74.53 109.314 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 6.7 t -72.66 -70.8 0.33 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 63.42 109.972 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.78 92.85 2.23 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.574 1.171 . . . . 73.33 110.972 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -163.89 108.14 1.0 Allowed 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.551 0.795 . . . . 75.52 109.271 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.3 t -46.87 -39.38 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.23 109.329 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.7 tttp -49.11 -47.01 45.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 72.32 109.302 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.71 -32.1 72.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 70.1 109.357 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' 2088 ' ' TYR . 0.8 OUTLIER -69.55 -47.62 63.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 75.03 109.337 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.4 m -59.74 -39.23 84.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 73.15 110.39 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.73 -46.7 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 74.24 110.204 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.03 96.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 73.41 109.272 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.581 ' CZ3' HD23 ' A' 2031 ' ' LEU . 0.0 OUTLIER -61.05 -34.95 75.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 72.55 108.017 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -47.7 78.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 54.45 109.396 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 3.9 mp -56.45 -53.61 55.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 73.4 109.255 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -57.32 -49.83 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 63.34 111.008 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.53 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -48.24 -48.83 34.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 74.01 110.987 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.41 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.31 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' 2074 ' ' TYR . 3.8 t -64.26 -57.78 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 74.33 109.266 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.753 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 22.6 m-85 -64.17 -27.76 69.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.362 1.039 . . . . 73.34 111.017 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' 2105 ' ' TYR . 8.7 ttt180 -74.11 -32.04 63.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 70.14 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -51.71 24.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 73.54 110.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.557 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -45.36 -31.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.44 109.328 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 12.7 p -86.41 -52.01 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 75.11 109.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 72.12 109.321 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.416 HD13 ' CE1' ' A' 2024 ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.311 -0.626 . . . . 75.15 109.311 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.544 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.9 m0 -62.99 -51.82 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.035 -1.098 . . . . 73.31 108.035 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.416 ' CE1' HD13 ' A' 2022 ' ' LEU . 1.6 m80 -46.01 -22.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 72.04 109.489 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -69.81 -40.3 76.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 75.21 110.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.74 -33.55 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 74.44 111.023 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 67.0 m95 -67.13 -49.18 65.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.91 -1.144 . . . . 75.41 107.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -64.21 -47.55 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 71.55 109.741 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' 2025 ' ' GLU . 2.0 tt0 -65.91 -38.75 89.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 71.33 110.351 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -56.65 -63.2 5.53 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 75.52 110.994 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.767 ' CD2' ' CE2' ' A' 2108 ' ' PHE . 4.2 mt -59.27 -32.32 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 0.716 . . . . 75.33 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' 2036 ' ' ARG . 2.1 mm-40 -53.5 -52.61 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 75.34 110.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -79.52 -49.7 11.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 62.21 110.284 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.511 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -52.21 -49.96 62.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 64.13 109.208 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.3 p -68.28 -43.98 76.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 70.44 109.9 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2036 ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' 2032 ' ' GLU . 1.5 mtp85 -53.72 -52.08 61.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 75.34 110.289 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' 2047 ' ' MET . 4.3 pp -69.29 -40.8 77.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 75.5 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.439 ' N ' HD13 ' A' 2037 ' ' LEU . 61.8 t80 . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.113 . . . . 74.33 110.984 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.298 -0.631 . . . . 73.33 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.588 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 37.5 t -54.29 -24.98 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 73.04 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.46 -43.21 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.44 109.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -53.44 -54.15 31.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.606 1.191 . . . . 64.23 111.023 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.511 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 8.6 tmm? -54.16 -47.61 71.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 0.719 . . . . 74.25 111.05 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.588 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 10.1 m-85 -63.46 -34.4 77.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 75.32 111.05 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.3 mm-40 -75.77 -15.98 60.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 64.34 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.582 ' C ' ' HD2' ' A' 2053 ' ' PRO . 0.6 OUTLIER -84.08 -42.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 73.21 109.397 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.531 HD11 ' CG1' ' A' 2050 ' ' VAL . 0.4 OUTLIER -77.18 -46.87 21.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.43 109.351 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -33.92 -54.43 0.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 71.53 110.336 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.582 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 73.32 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.453 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -49.52 -55.99 11.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 74.44 109.343 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 44.2 m170 -57.56 -53.08 62.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 63.33 109.5 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.18 -50.47 61.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.423 1.077 . . . . 74.04 109.253 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.99 -36.2 37.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 74.21 111.052 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.544 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -71.1 -33.77 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.55 110.984 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.0 mm-40 -72.84 -63.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 73.22 110.221 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' 2056 ' ' ALA . 5.8 ptm180 -72.66 -24.34 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 75.31 110.297 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.29 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 64.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 73.02 110.963 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.04 -70.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 75.33 110.237 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.2 t -170.51 174.31 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 75.04 110.504 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -28.97 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 74.51 109.311 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -69.69 -34.79 74.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 74.23 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.15 -18.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 1.055 . . . . 63.13 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 30.3 m -54.59 -33.26 60.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 71.44 110.338 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -35.93 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.43 109.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 18.1 t80 -63.81 -52.98 57.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.52 111.01 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 2.3 t-20 -64.24 -28.79 69.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 64.35 109.402 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -77.41 -54.6 6.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.41 110.312 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.2 -52.81 4.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.24 109.379 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.6 m-85 -90.68 -14.99 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.593 1.183 . . . . 75.14 110.999 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.38 -44.33 2.26 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.526 1.141 . . . . 54.35 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -49.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.62 0.835 . . . . 75.25 110.341 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.54 -55.68 17.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 51.22 109.324 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.71 -37.82 59.73 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 75.53 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -46.61 89.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.15 110.917 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.505 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 21.5 tt0 -62.28 -54.28 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.42 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.419 ' HB1' ' CE1' ' A' 2104 ' ' TYR . . . -53.93 -40.65 66.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 64.1 109.352 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2082 ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.8 OUTLIER -60.55 -39.49 88.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 72.05 110.256 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.494 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 74.53 110.226 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.402 ' HA ' ' HB2' ' A' 2087 ' ' LYS . 98.4 m95 -75.58 -23.92 56.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 75.42 107.992 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 42.7 t -66.64 -58.54 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 75.54 108.225 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.494 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.1 OUTLIER -62.52 -28.98 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.01 110.278 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.485 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -60.62 -50.5 73.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 75.34 109.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.563 ' CE2' HD22 ' A' 2097 ' ' LEU . 0.6 OUTLIER -70.91 -46.77 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.3 110.964 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.516 ' HE1' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -56.9 -32.29 65.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 74.03 111.008 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.9 tptm -92.01 -56.83 2.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 74.31 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' 2087 ' ' LYS . 4.7 t -70.2 -64.42 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 75.22 109.96 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.31 81.4 1.53 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.48 1.113 . . . . 74.21 111.094 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.37 120.35 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 74.01 109.325 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -56.82 -29.78 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.22 109.417 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.47 -49.04 78.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 74.1 109.305 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -39.85 80.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 53.23 109.338 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.563 HD22 ' CE2' ' A' 2088 ' ' TYR . 0.2 OUTLIER -63.27 -48.39 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 74.41 109.37 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -58.25 -41.73 84.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 73.24 110.327 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -50.66 72.95 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 65.4 110.2 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.59 78.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 73.44 109.376 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.444 ' CZ2' ' HG3' ' A' 2047 ' ' MET . 0.0 OUTLIER -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 72.24 108.057 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -51.11 71.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 75.43 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.5 mp -54.14 -54.21 42.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 71.13 109.357 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.419 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 14.8 m-85 -54.03 -55.68 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 73.12 111.094 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.97 -36.49 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 74.34 111.027 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2106 ' ' HIS . . . . . 0.473 ' O ' ' HG2' ' A' 2109 ' ' ARG . 47.9 t-80 -63.47 -45.59 90.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 75.42 109.635 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -77.21 -35.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 73.33 109.31 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.767 ' CE2' ' CD2' ' A' 2031 ' ' LEU . 10.1 m-85 -72.1 -31.7 66.29 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.536 1.148 . . . . 73.41 111.001 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' 2105 ' ' TYR . 6.9 ptp180 -79.43 -31.17 42.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.585 1.178 . . . . 64.14 110.273 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2110 ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' 2109 ' ' ARG . 24.7 tpt180 -70.29 -50.41 39.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 71.54 110.246 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.495 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 11.8 pt -43.24 -30.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 73.13 109.261 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 22.7 t -91.98 -56.81 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 71.23 109.978 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.2 tptp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 74.05 109.279 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.309 -0.626 . . . . 74.43 109.309 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.563 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.6 m0 -70.28 -50.83 35.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.979 -1.119 . . . . 74.12 107.979 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.18 -22.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.25 109.555 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.4 OUTLIER -70.11 -36.37 74.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 74.2 110.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.506 ' HG2' ' CE ' ' A' 2058 ' ' MET . 0.0 OUTLIER -75.73 -32.92 60.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 75.24 110.978 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.622 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 63.8 m95 -68.01 -44.01 77.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 73.43 108.019 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -65.07 -59.3 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 72.11 109.616 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.418 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.5 OUTLIER -61.02 -35.95 78.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.24 110.258 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' 2026 ' ' MET . . . -55.44 -62.64 6.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 63.44 110.993 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.767 ' CD2' ' CE2' ' A' 2108 ' ' PHE . 5.9 mt -58.72 -30.95 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 71.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.01 -49.24 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 53.45 110.29 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.489 ' N ' ' HG2' ' A' 2032 ' ' GLU . 1.1 tt0 -79.1 -45.0 20.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 71.13 110.237 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.46 ' HB2' ' CG ' ' A' 2047 ' ' MET . . . -58.14 -47.09 84.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 64.43 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.5 p -65.94 -39.94 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 75.5 109.982 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -56.87 -41.69 78.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 75.04 110.195 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2037 ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.73 -35.01 70.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 75.23 109.26 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 89.9 t80 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.627 1.204 . . . . 72.23 110.993 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.36 -0.607 . . . . 73.22 109.36 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.574 HG11 ' CD2' ' A' 2048 ' ' PHE . 38.2 t -57.14 -21.7 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.3 109.332 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.527 ' HD3' ' HE2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -53.53 -40.24 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 73.31 109.343 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -53.81 -56.03 22.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.465 1.103 . . . . 53.42 111.048 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.521 ' CE ' HG12 ' A' 2044 ' ' VAL . 8.8 tmm? -55.99 -43.16 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 0.803 . . . . 74.51 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.574 ' CD2' HG11 ' A' 2044 ' ' VAL . 7.2 m-85 -62.78 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 74.15 111.072 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.576 ' O ' ' CD ' ' A' 2053 ' ' PRO . 15.8 mt-10 -75.74 -13.43 60.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 72.01 110.291 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.549 ' C ' ' HD2' ' A' 2053 ' ' PRO . 25.6 t -82.55 -46.85 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 74.44 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.82 -44.76 31.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 75.54 109.193 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.3 OUTLIER -34.08 -56.15 0.75 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 73.12 110.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.576 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.99 -52.02 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.53 1.805 . . . . 75.11 110.974 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.432 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -49.12 -57.37 6.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.167 . . . . 75.14 109.386 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' 2051 ' ' LEU . 9.1 m170 -60.05 -52.66 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 63.44 109.627 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' 2052 ' ' GLU . . . -49.43 -50.72 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 71.02 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.47 ' HE3' ' CE ' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.79 -38.76 56.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 64.42 111.001 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.563 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.0 OUTLIER -66.52 -37.22 84.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 75.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.2 mm-40 -69.85 -64.02 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 64.21 110.244 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.7 OUTLIER -65.49 -35.0 79.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 75.21 110.334 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' 2057 ' ' MET . . . -124.08 81.1 0.35 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.572 1.17 . . . . 75.11 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.451 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.2 Cg_endo -74.99 -93.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 73.53 110.969 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.434 ' CB ' ' HB2' ' A' 2067 ' ' GLU . 0.2 OUTLIER 176.77 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 72.42 110.412 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.465 ' OG1' ' N ' ' A' 2065 ' ' LEU . 6.1 t -167.17 -171.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 65.24 110.315 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.465 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.0 OUTLIER -61.1 -26.92 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 73.34 109.298 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 13.0 tttt -68.98 -49.61 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 71.55 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.434 ' HB2' ' CB ' ' A' 2063 ' ' GLN . 2.4 mm-40 -75.43 -20.04 59.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.44 110.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.2 m -53.51 -27.34 25.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.01 110.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -40.58 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 72.54 110.063 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.41 ' CE2' ' HE2' ' A' 2074 ' ' TYR . 27.6 t80 -63.49 -51.25 66.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 73.21 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 34.8 t30 -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.516 1.135 . . . . 63.44 109.231 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -78.18 -52.89 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 71.24 110.332 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.63 5.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.478 1.111 . . . . 73.24 109.366 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.58 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.1 m-85 -95.09 -15.07 23.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.371 1.044 . . . . 74.12 111.112 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.51 -40.86 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.569 1.168 . . . . 72.44 111.02 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -51.75 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 74.12 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.99 -56.9 10.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 73.2 109.337 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.456 HD23 ' CE1' ' A' 2104 ' ' TYR . 15.1 mt -52.4 -40.19 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.4 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 13.5 ttm -56.22 -46.46 79.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.127 . . . . 71.02 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 12.6 tt0 -62.71 -56.06 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.362 1.039 . . . . 70.52 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' 2104 ' ' TYR . . . -52.93 -42.37 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 75.05 109.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.51 -42.48 82.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 63.15 110.178 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 62.33 110.208 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.536 ' CE2' ' OE1' ' A' 2099 ' ' GLN . 97.3 m95 -68.53 -33.52 74.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.991 -1.115 . . . . 74.31 107.991 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 67.6 m -65.08 -55.55 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 74.33 108.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -54.67 -36.88 65.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 72.41 110.359 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.414 ' NZ ' ' CE3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -63.26 -42.62 99.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 75.12 109.286 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.751 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 74.7 t80 -70.51 -48.06 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 61.34 110.966 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.513 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -57.91 -36.4 72.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 74.34 110.917 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -58.81 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 54.42 109.334 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.66 57.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 64.31 109.967 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' 2088 ' ' TYR . . . -97.64 -151.28 27.39 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.557 1.161 . . . . 75.31 111.094 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.02 168.64 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 75.41 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -40.44 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 72.51 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.86 -48.63 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 72.32 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.751 ' HD2' ' HB2' ' A' 2088 ' ' TYR . 0.0 OUTLIER -66.06 -41.23 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.22 109.308 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.554 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 8.0 tp -56.83 -42.98 80.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 74.41 109.281 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.3 m -64.79 -45.37 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 74.41 110.472 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2099 ' ' GLN . . . . . 0.536 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -51.28 -52.75 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 64.25 110.259 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.63 79.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 73.34 109.346 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.68 82.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.34 108.015 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -51.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.075 . . . . 74.44 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 5.3 mp -56.84 -52.9 63.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.42 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' 2081 ' ' ALA . 3.5 m-30 -54.23 -56.05 22.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 75.14 111.01 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.91 -38.14 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.52 110.974 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2106 ' ' HIS . . . . . 0.466 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.8 m170 -61.66 -45.84 92.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 74.4 109.662 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.58 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -75.86 -35.15 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 75.41 109.342 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.767 ' CE2' ' CD2' ' A' 2031 ' ' LEU . 8.9 m-85 -73.04 -31.88 64.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 74.45 111.012 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -79.78 -25.63 40.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 75.12 110.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2110 ' ' ARG . . . . . 0.497 ' N ' ' HG3' ' A' 2109 ' ' ARG . 2.1 mmm180 -75.44 -50.25 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 75.11 110.306 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 7.9 pt -42.09 -37.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 61.55 109.276 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 66.4 p -81.85 -45.86 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 63.03 109.961 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 71.54 109.244 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.706 ' CD1' ' N ' ' A' 2022 ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.328 -0.619 . . . . 74.32 109.328 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.579 ' CD2' ' HE2' ' A' 2058 ' ' MET . 17.0 m0 -81.15 -39.72 25.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.955 -1.128 . . . . 73.44 107.955 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.511 ' HB2' ' CD2' ' A' 2022 ' ' LEU . 3.3 m80 -44.57 -23.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 75.32 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.547 ' HB2' ' CD1' ' A' 2022 ' ' LEU . 0.9 OUTLIER -68.07 -40.93 82.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 70.55 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -71.64 -31.28 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 72.14 110.998 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.489 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 78.2 m95 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 75.44 107.998 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.4 OUTLIER -56.88 -59.06 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 73.41 109.625 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.47 ' N ' ' CD2' ' A' 2028 ' ' HIS . 4.8 pt-20 -63.64 -40.43 96.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 74.3 110.303 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -56.12 -63.61 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 72.23 110.956 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.612 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 5.1 tp -57.7 -32.16 67.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.545 0.791 . . . . 72.55 109.243 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.72 -53.26 57.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 72.11 110.279 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.73 48.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 64.03 110.343 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.06 -49.27 69.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.143 . . . . 42.02 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' 2031 ' ' LEU . 7.6 m -56.56 -45.97 80.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 74.31 109.864 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -34.29 72.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 73.4 110.317 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' 2034 ' ' ALA . 3.0 mt -70.33 -34.04 72.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.591 1.182 . . . . 71.41 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 74.13 110.978 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 109.328 -0.619 . . . . 74.43 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.724 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 4.3 t -65.71 -10.55 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 64.32 109.402 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.47 -40.24 67.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 71.04 109.277 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.421 ' O ' ' CG2' ' A' 2050 ' ' VAL . . . -57.55 -56.56 24.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.445 1.091 . . . . 72.22 110.977 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.85 -46.93 81.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 74.45 110.948 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.724 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.7 m-85 -68.19 -37.1 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.21 110.997 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 5.5 mm-40 -75.45 -13.68 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 75.12 110.285 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.569 ' C ' ' HD2' ' A' 2053 ' ' PRO . 21.6 t -84.56 -44.06 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 75.23 109.244 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.623 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -46.38 26.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 73.1 109.332 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.463 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.2 mt-10 -34.93 -55.45 0.95 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.4 110.32 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.569 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.98 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.481 1.779 . . . . 75.44 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.497 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 16.8 mt -48.39 -56.7 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 70.51 109.247 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 36.3 m170 -59.18 -52.31 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.21 109.565 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.27 -47.21 62.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 62.51 109.27 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.517 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.7 -38.72 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 73.04 111.057 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.579 ' HE2' ' CD2' ' A' 2023 ' ' TRP . 0.4 OUTLIER -70.41 -33.08 70.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.19 . . . . 74.14 110.996 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.1 mm-40 -71.67 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 75.42 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -22.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 75.3 110.349 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.33 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 73.44 111.039 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 73.54 111.133 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.467 ' O ' ' CG2' ' A' 2064 ' ' THR . 1.3 tp60 -145.71 -72.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 74.2 110.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' 2063 ' ' GLN . 21.0 p -156.08 161.06 40.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 63.2 110.384 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -27.32 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.626 1.204 . . . . 73.55 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -50.95 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.156 . . . . 73.35 109.265 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.53 -23.53 63.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 64.14 110.239 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.7 m -55.35 -41.58 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 1.208 . . . . 73.1 110.351 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.4 m -64.74 -50.59 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 72.21 110.063 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.413 ' HE1' ' CD2' ' A' 2074 ' ' TYR . 0.5 OUTLIER -58.8 -43.32 90.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.25 110.975 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2075 ' ' GLY . 41.7 t30 -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.11 109.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -78.1 -54.94 5.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 74.41 110.291 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.36 -33.17 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 73.43 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.458 ' CD2' HG13 ' A' 2107 ' ' VAL . 2.5 m-30 -96.48 -24.22 16.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 74.44 110.979 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.34 -42.99 5.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 75.12 110.925 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -45.92 59.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 0.766 . . . . 74.22 110.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.54 -51.1 68.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 74.31 109.363 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.54 -33.45 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 64.41 109.334 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 mtp -67.48 -44.73 77.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.545 1.153 . . . . 73.41 111.0 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.498 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 17.9 tt0 -60.16 -58.55 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 74.53 110.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.572 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -53.59 -41.1 66.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 72.41 109.313 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -57.8 -39.65 78.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 73.23 110.331 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.536 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -66.13 -36.57 83.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 55.5 110.331 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.8 m95 -73.09 -23.76 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 75.23 107.944 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.8 t -72.03 -58.56 3.34 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.57 1.169 . . . . 74.34 108.209 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.536 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 2.2 ptm180 -67.08 -27.83 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 74.41 110.275 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -71.81 -37.17 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 73.21 109.239 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.535 ' CZ ' HD21 ' A' 2097 ' ' LEU . 10.1 t80 -79.41 -45.0 20.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 74.14 110.98 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.0 mtt -61.59 -38.2 86.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 74.11 111.034 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.477 ' HD2' ' O ' ' A' 2090 ' ' LYS . 11.5 tptm -64.92 -58.99 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 73.43 109.235 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.22 78.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.138 . . . . 71.03 109.965 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -133.06 -141.8 4.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 62.11 110.999 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -149.23 157.95 43.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 74.41 109.307 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -35.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 74.42 109.204 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -49.01 -48.1 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 75.35 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -67.02 -39.01 86.96 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.435 1.084 . . . . 65.21 109.343 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.535 HD21 ' CZ ' ' A' 2088 ' ' TYR . 4.2 tp -62.73 -46.66 87.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 72.34 109.226 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.4 m -59.32 -42.66 91.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 70.24 110.424 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.1 -49.91 74.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 74.4 110.272 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.26 -43.52 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 72.21 109.37 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.514 ' CH2' HD13 ' A' 2031 ' ' LEU . 1.0 OUTLIER -62.77 -33.06 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.23 107.998 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -50.61 70.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.603 1.189 . . . . 71.22 109.26 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.4 mp -54.87 -53.11 59.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 75.11 109.369 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 18.1 m-85 -57.15 -46.77 82.45 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.433 1.083 . . . . 73.03 110.936 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.43 -48.37 47.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 75.33 111.04 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2106 ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' 2110 ' ' ARG . 37.3 m170 -62.64 -37.88 88.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 72.45 109.595 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.458 HG13 ' CD2' ' A' 2074 ' ' TYR . 2.1 t -69.59 -56.65 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 65.21 109.211 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.612 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 30.9 m-85 -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.42 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' 2105 ' ' TYR . 7.6 ttt180 -76.49 -30.62 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 74.42 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2110 ' ' ARG . . . . . 0.428 ' CB ' ' OH ' ' A' 2074 ' ' TYR . 10.2 mmt-85 -72.59 -51.43 19.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 73.43 110.341 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' 2108 ' ' PHE . 15.5 pt -42.92 -31.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 75.21 109.277 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.1 m -85.3 -53.96 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 74.15 109.998 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 75.15 109.358 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' 2022 ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.299 -0.63 . . . . 65.02 109.299 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.543 ' CG ' ' HE1' ' A' 2058 ' ' MET . 8.7 m0 -66.53 -51.44 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 74.22 107.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.464 ' ND1' HD11 ' A' 2022 ' ' LEU . 2.7 m170 -46.45 -25.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 63.34 109.551 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.3 tm-20 -69.42 -32.53 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 74.31 110.378 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -76.02 -31.51 58.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 73.53 111.028 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.572 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 61.6 m95 -69.98 -50.52 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 72.3 108.028 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.6 OUTLIER -60.85 -59.17 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 65.32 109.615 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.451 ' N ' ' CD2' ' A' 2028 ' ' HIS . 0.0 OUTLIER -63.24 -33.79 76.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 75.23 110.257 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.47 -64.18 4.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.133 . . . . 70.31 111.01 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.605 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 1.8 tp -61.55 -32.4 72.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 74.42 109.343 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' 2028 ' ' HIS . 2.8 mt-10 -55.12 -48.35 73.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 62.04 110.258 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.11 -49.15 25.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.401 1.063 . . . . 71.12 110.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -56.64 -37.24 70.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 73.33 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' 2031 ' ' LEU . 17.6 t -75.91 -52.94 9.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.168 . . . . 73.34 110.01 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.2 -44.3 53.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 75.53 110.216 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' A' 2038 ' ' TYR . 3.3 pp -70.43 -48.08 57.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 71.24 109.317 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.578 ' N ' ' CD1' ' A' 2037 ' ' LEU . 42.9 t80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 72.53 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.445 ' O ' ' CD1' ' A' 2037 ' ' LEU . 1.9 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.255 -0.646 . . . . 71.0 109.255 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.561 HG13 ' CE2' ' A' 2048 ' ' PHE . 48.7 t -73.88 -26.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 70.14 109.407 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.618 ' HD2' ' HE2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.87 -36.26 37.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.091 . . . . 70.34 109.385 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -62.11 -53.24 44.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.54 1.15 . . . . 75.3 110.963 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.484 ' CE ' HG11 ' A' 2044 ' ' VAL . 8.4 tmm? -52.58 -43.32 65.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 0.814 . . . . 62.52 110.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.583 ' CD2' ' CE ' ' A' 2089 ' ' MET . 14.2 m-85 -68.03 -37.66 81.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 63.01 110.989 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.618 ' HE2' ' HD2' ' A' 2045 ' ' LYS . 28.2 mt-10 -75.89 -13.73 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 71.01 110.203 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.549 ' C ' ' HD2' ' A' 2053 ' ' PRO . 24.4 t -84.82 -44.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.107 . . . . 71.43 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.627 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.2 -45.43 33.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 75.12 109.363 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.8 -55.99 1.16 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 73.24 110.31 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.557 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -74.96 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 73.24 111.041 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' 2051 ' ' LEU . 20.9 mt -49.41 -55.31 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 73.05 109.254 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.573 ' CE1' HD21 ' A' 2078 ' ' LEU . 3.3 m170 -58.43 -53.37 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 75.35 109.661 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.29 -50.19 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 74.31 109.232 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.11 -39.52 43.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 74.33 110.971 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.543 ' HE1' ' CG ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -69.14 -31.7 70.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.502 1.126 . . . . 74.45 110.85 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.1 mm-40 -76.43 -63.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 63.43 110.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 2056 ' ' ALA . 30.8 ptt180 -71.52 -18.19 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.12 110.359 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.38 77.25 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.558 1.161 . . . . 53.13 110.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.6 1.842 . . . . 63.42 110.94 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.537 ' O ' ' CG2' ' A' 2064 ' ' THR . 4.7 tp60 -148.94 -76.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 75.23 110.363 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.537 ' CG2' ' O ' ' A' 2063 ' ' GLN . 23.8 p -158.61 177.43 11.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.157 . . . . 71.24 110.362 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -27.23 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 74.23 109.412 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 18.0 mttt -67.33 -39.71 85.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 74.01 109.266 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -77.24 -26.04 52.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.22 110.248 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.9 m -54.79 -28.51 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 74.22 110.453 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -37.56 63.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 72.51 110.037 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.413 ' CE1' ' HE2' ' A' 2074 ' ' TYR . 62.6 t80 -63.42 -51.63 64.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 70.54 110.985 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' 2075 ' ' GLY . 22.5 t-20 -63.74 -29.92 71.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 74.11 109.377 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.27 -45.93 21.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 72.34 110.34 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.98 -46.22 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 71.3 109.323 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.71 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 39.1 m-85 -99.49 -17.75 17.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 74.33 110.956 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -39.13 -28.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 71.51 110.995 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2076 ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' 2074 ' ' TYR . 19.0 tpt180 -79.02 -46.79 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 70.41 110.345 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' 2074 ' ' TYR . 6.7 m-20 -61.37 -57.05 13.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 71.51 109.364 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.573 HD21 ' CE1' ' A' 2055 ' ' HIS . 8.0 mp -51.37 -46.0 62.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 62.32 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.1 ttm -50.49 -49.38 55.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 74.13 110.971 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.487 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.4 tt0 -71.1 -48.3 53.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 75.42 110.26 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.439 ' N ' HD21 ' A' 2103 ' ' LEU . . . -53.47 -44.36 68.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 72.24 109.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.63 -38.49 90.46 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.482 1.114 . . . . 71.42 110.312 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.529 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -60.69 -37.29 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 71.43 110.271 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 98.7 m95 -75.84 -25.78 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.933 -1.136 . . . . 74.41 107.933 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' 2081 ' ' ALA . 71.6 m -69.48 -59.0 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 60.31 108.25 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.529 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 1.1 ptm180 -65.05 -28.63 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 73.11 110.234 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.457 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.66 -33.6 71.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.599 1.187 . . . . 64.41 109.332 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.751 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 9.9 t80 -77.16 -45.2 27.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 74.23 111.026 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.583 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -60.31 -40.44 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 55.32 111.055 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -57.53 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 73.35 109.265 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.16 77.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 62.5 109.995 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -124.64 -148.86 7.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.383 1.052 . . . . 64.3 110.939 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -141.96 -178.06 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 72.35 109.326 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -40.81 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 75.55 109.322 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 -48.42 49.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 75.44 109.329 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.751 ' HD2' ' HB2' ' A' 2088 ' ' TYR . 0.0 OUTLIER -66.1 -42.8 88.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 72.31 109.319 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.514 HD22 ' CE1' ' A' 2088 ' ' TYR . 1.6 tp -59.07 -46.9 87.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 74.21 109.287 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -58.75 -42.16 88.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 74.54 110.471 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 74.34 110.366 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.4 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 71.14 109.246 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.502 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 0.2 OUTLIER -56.67 -31.2 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 74.12 107.935 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -48.99 68.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.627 1.205 . . . . 62.43 109.38 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.5 mp -53.45 -52.75 58.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 74.31 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.422 ' O ' HG21 ' A' 2107 ' ' VAL . 11.0 m-85 -56.84 -57.35 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 74.51 111.005 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.3 t80 -49.67 -27.94 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 73.25 111.053 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -70.71 -55.67 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.12 109.559 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.71 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.5 m -64.13 -43.79 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 72.41 109.261 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.605 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 17.8 m-85 -66.63 -29.61 69.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 74.32 110.947 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' 2105 ' ' TYR . 22.3 ttt85 -77.84 -28.16 50.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 73.11 110.287 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -75.15 -51.52 13.21 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.422 1.077 . . . . 73.22 110.337 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.572 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.0 pt -45.24 -35.08 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.552 1.157 . . . . 75.33 109.352 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.38 -47.09 20.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 74.01 110.02 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2113 ' ' LYS . . . . . 0.487 ' NZ ' ' NH1' ' A' 2109 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.33 109.245 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.18 -0.674 . . . . 75.41 109.18 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.545 ' CD2' ' HE3' ' A' 2058 ' ' MET . 10.2 m0 -69.36 -52.49 26.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 75.01 108.067 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 4.3 m80 -46.75 -24.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 71.32 109.635 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' 2023 ' ' TRP . 8.0 tp10 -69.03 -36.34 77.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 73.45 110.331 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -73.96 -31.1 62.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 74.13 110.948 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.484 ' HE3' ' CD1' ' A' 2108 ' ' PHE . 63.0 m95 -68.67 -51.47 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 70.51 108.051 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -58.02 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 74.2 109.691 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.6 OUTLIER -63.04 -37.38 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 73.44 110.209 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -57.8 -64.96 3.89 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.634 1.209 . . . . 70.13 110.996 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.758 ' HG ' ' CE1' ' A' 2108 ' ' PHE . 6.0 mt -58.87 -30.44 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 0.814 . . . . 74.12 109.316 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.95 -53.74 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 74.53 110.293 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.388 1.055 . . . . 53.31 110.305 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 62.02 109.302 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 51.9 p -60.62 -42.87 97.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.17 . . . . 73.03 109.912 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -32.87 71.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.12 110.254 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' 2034 ' ' ALA . 2.7 mt -70.53 -42.38 71.28 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.512 1.132 . . . . 71.33 109.291 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 75.11 110.934 -179.95 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.239 -0.652 . . . . 71.14 109.239 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.759 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 3.5 t -65.62 -11.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 75.31 109.217 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.29 -38.85 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 71.11 109.287 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.464 ' O ' ' HG2' ' A' 2049 ' ' GLU . . . -54.17 -56.13 22.87 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.373 1.046 . . . . 74.21 111.032 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.2 OUTLIER -60.62 -48.87 79.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 74.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.759 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.8 m-30 -60.59 -43.66 97.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 71.55 111.017 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.555 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.3 pt-20 -72.32 -13.4 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 73.34 110.36 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.583 ' C ' ' HD2' ' A' 2053 ' ' PRO . 6.8 t -84.9 -45.19 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.371 1.045 . . . . 70.04 109.313 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.588 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.64 -43.15 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.43 109.357 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.532 ' HE2' ' HB3' ' A' 2048 ' ' PHE . 0.3 OUTLIER -37.27 -54.34 2.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 54.42 110.339 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.583 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.96 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 73.12 110.909 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.508 ' HB2' ' HA ' ' A' 2051 ' ' LEU . 34.9 mt -48.2 -55.42 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 75.12 109.262 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 39.4 m170 -60.9 -51.81 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 73.12 109.514 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.68 -49.02 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 44.2 109.266 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.22 -41.55 50.04 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 72.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.545 ' HE3' ' CD2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -65.26 -34.57 78.67 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.065 . . . . 72.24 111.016 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.2 mm-40 -74.81 -62.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 1.179 . . . . 75.34 110.371 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.455 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.0 ptm180 -72.52 -7.92 52.47 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.549 1.156 . . . . 71.31 110.323 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' 2057 ' ' MET . . . -125.36 67.51 0.52 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 63.13 110.949 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.3 Cg_endo -75.08 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 74.1 111.076 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.506 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -153.32 -73.93 0.13 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.63 1.206 . . . . 74.1 110.244 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.516 ' O ' ' CG2' ' A' 2068 ' ' THR . 4.8 p -159.68 175.62 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.41 110.368 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.436 ' O ' ' OG1' ' A' 2068 ' ' THR . 0.2 OUTLIER -53.78 -26.88 25.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 65.43 109.365 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.49 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.439 1.087 . . . . 43.32 109.356 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.518 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -68.33 -37.24 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 74.42 110.183 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' 2064 ' ' THR . 71.7 p -54.08 -36.36 63.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 74.41 110.377 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -37.15 64.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.368 1.042 . . . . 65.35 110.022 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.413 ' CE2' HG23 ' A' 2111 ' ' ILE . 43.9 t80 -72.82 -53.29 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.33 110.971 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' CA ' ' A' 2075 ' ' GLY . 23.9 t30 -64.85 -29.3 70.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 71.53 109.322 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2072 ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' 2068 ' ' THR . 7.3 mt-30 -78.13 -51.45 10.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.381 1.051 . . . . 74.15 110.293 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.9 -50.68 5.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 74.31 109.265 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.558 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.1 m-85 -94.78 -14.83 24.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 71.21 111.017 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.73 -48.86 1.87 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 63.44 111.051 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -45.82 58.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 0.793 . . . . 73.25 110.294 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -55.17 -54.67 40.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.03 109.203 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' 2055 ' ' HIS . 37.5 mt -54.94 -34.38 63.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 74.23 109.33 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 26.4 tpp -64.43 -46.84 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.24 111.052 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 5.4 tt0 -60.29 -54.96 39.52 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.438 1.086 . . . . 75.11 110.41 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.456 ' HB1' ' CE1' ' A' 2104 ' ' TYR . . . -52.61 -40.61 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 73.02 109.269 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.44 -42.89 92.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.52 110.271 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.6 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 74.43 110.25 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.418 ' CE3' ' HE3' ' A' 2087 ' ' LYS . 98.3 m95 -72.08 -30.75 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.988 -1.116 . . . . 73.21 107.988 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 98.2 m -66.53 -58.79 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 75.44 108.258 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.25 73.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 74.3 110.311 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -59.54 -37.54 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 61.12 109.27 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 1.2 t80 -75.79 -46.13 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 63.24 111.004 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.568 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 4.1 mtt -56.5 -31.93 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 75.05 110.977 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -55.79 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 73.42 109.315 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.2 t -68.39 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.22 110.05 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.29 94.83 1.81 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.564 1.165 . . . . 53.34 110.995 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.63 113.72 1.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 0.785 . . . . 74.01 109.363 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.9 p -50.01 -37.16 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 72.54 109.351 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.8 tttt -49.4 -49.67 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 75.15 109.336 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.63 -32.2 69.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 74.43 109.379 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.593 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 1.6 tt -64.97 -49.45 70.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.34 109.304 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.8 m -60.38 -50.31 74.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 62.54 110.334 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -51.48 50.77 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.584 1.177 . . . . 75.2 110.245 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -58.15 -43.21 87.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 74.24 109.312 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.703 ' CH2' ' CD2' ' A' 2031 ' ' LEU . 0.0 OUTLIER -62.79 -41.18 99.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 73.25 108.057 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 -47.36 71.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 75.21 109.252 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.4 mp -59.44 -55.06 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 75.33 109.27 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.456 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 10.1 m-85 -55.39 -57.4 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 70.3 110.954 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.484 ' O ' ' HB2' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.48 -41.61 30.25 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 73.22 110.942 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -57.08 -45.92 82.92 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.569 1.168 . . . . 74.25 109.548 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.558 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -72.74 -39.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 75.44 109.355 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.758 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 7.6 m-85 -67.88 -30.51 69.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 64.22 111.052 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -78.17 -36.83 47.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 72.34 110.301 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -64.35 -51.48 63.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 72.03 110.246 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 18.4 pt -45.0 -40.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 75.03 109.355 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 7.7 t -79.63 -50.78 10.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 74.31 110.051 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 70.13 109.392 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.317 -0.623 . . . . 73.2 109.317 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.557 ' CD2' ' HE2' ' A' 2058 ' ' MET . 3.5 m0 -76.51 -47.2 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.31 108.026 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.7 m80 -48.06 -22.67 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 73.34 109.559 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.1 OUTLIER -69.37 -35.03 75.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 72.13 110.249 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -78.69 -30.68 46.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 74.11 111.061 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.652 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 64.8 m95 -71.9 -46.53 57.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.537 1.148 . . . . 74.4 108.022 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.0 OUTLIER -64.83 -59.8 3.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 73.33 109.606 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 74.04 110.283 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.427 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -60.27 -65.28 3.47 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 72.14 110.944 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.609 ' HB2' ' CD2' ' A' 2108 ' ' PHE . 4.0 tp -59.95 -29.88 68.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 73.31 109.275 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' 2028 ' ' HIS . 6.2 mm-40 -54.47 -53.92 47.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 73.42 110.326 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.95 -50.91 53.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 75.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -55.31 -47.66 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 74.24 109.35 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 30.7 t -57.71 -40.55 79.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 65.3 109.955 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -63.1 -34.7 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 75.41 110.349 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.479 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 2.0 mt -69.86 -36.1 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 73.22 109.373 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 73.4 110.992 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.287 -0.635 . . . . 73.03 109.287 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.571 HG11 ' CE2' ' A' 2088 ' ' TYR . 2.3 t -62.36 -23.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 75.44 109.316 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -56.82 -36.47 69.99 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.487 1.117 . . . . 74.25 109.358 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.567 ' O ' ' HG3' ' A' 2049 ' ' GLU . . . -51.59 -50.85 40.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.606 1.191 . . . . 74.01 111.036 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.531 ' O ' ' HG ' ' A' 2051 ' ' LEU . 10.7 tmm? -64.6 -53.9 40.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 75.3 111.015 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' 2089 ' ' MET . 11.3 m-85 -51.56 -47.06 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.663 1.227 . . . . 71.43 110.949 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.7 pp20? -73.68 -14.75 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 74.12 110.278 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.606 ' C ' ' HD2' ' A' 2053 ' ' PRO . 3.7 t -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.621 1.2 . . . . 74.14 109.336 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.4 OUTLIER -78.21 -40.09 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 62.51 109.399 179.878 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' 2048 ' ' PHE . 5.9 mt-10 -41.49 -53.7 7.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 75.41 110.35 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.606 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.99 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 75.14 111.043 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' 2051 ' ' LEU . 56.9 mt -49.96 -55.12 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 73.24 109.259 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 57.5 m170 -60.0 -51.27 70.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 74.32 109.536 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.6 -49.74 67.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 55.44 109.181 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.31 -37.66 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 71.54 111.025 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.557 ' HE2' ' CD2' ' A' 2023 ' ' TRP . 2.1 mmt -70.13 -33.26 71.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 74.54 110.991 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.4 -63.34 1.21 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.632 1.208 . . . . 71.4 110.239 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' 2056 ' ' ALA . 7.6 ptm180 -73.38 -19.73 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 74.15 110.203 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -121.53 74.84 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.436 1.085 . . . . 53.41 111.043 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.84 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.667 1.878 . . . . 60.52 111.049 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -133.06 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 74.11 110.284 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -179.27 163.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 71.13 110.388 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.45 ' O ' ' OG1' ' A' 2068 ' ' THR . 0.2 OUTLIER -49.33 -26.11 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 71.4 109.317 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -73.22 -36.26 66.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 75.45 109.273 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' 2064 ' ' THR . 1.2 pp20? -47.3 -22.34 0.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.109 . . . . 74.24 110.255 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' 2065 ' ' LEU . 46.7 p -53.85 -42.76 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 70.13 110.398 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -44.92 69.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 74.4 110.012 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.417 ' CZ ' ' CG2' ' A' 2111 ' ' ILE . 0.8 OUTLIER -72.37 -54.51 9.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 75.44 111.078 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.584 ' O ' ' CA ' ' A' 2075 ' ' GLY . 60.0 t-20 -56.16 -35.08 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.5 109.315 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2072 ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' 2068 ' ' THR . 6.8 mt-30 -81.04 -46.26 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 75.33 110.301 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.95 -51.93 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 53.23 109.268 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.633 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.5 m-85 -101.75 -12.09 18.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 75.41 111.011 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.584 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.72 -34.41 1.23 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.504 1.128 . . . . 74.53 110.929 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -40.89 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 74.12 110.31 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.0 OUTLIER -61.66 -58.94 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 72.44 109.306 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.488 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 9.5 mp -52.39 -43.55 64.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 62.34 109.296 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2079 ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -50.69 -49.75 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 73.4 111.074 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 20.7 tt0 -71.74 -47.62 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 74.21 110.296 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.513 ' HB3' ' CZ ' ' A' 2104 ' ' TYR . . . -53.72 -44.26 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 73.33 109.312 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -38.76 92.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 71.41 110.316 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -37.62 76.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 70.31 110.249 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.462 ' HB2' ' CB ' ' A' 2100 ' ' ALA . 99.0 m95 -73.72 -32.26 63.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.973 -1.121 . . . . 75.01 107.973 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.405 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 1.1 m -64.93 -48.79 72.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 65.03 108.28 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -41.14 97.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 74.21 110.305 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -33.96 75.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 74.31 109.242 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.571 ' CE2' HG11 ' A' 2044 ' ' VAL . 6.2 t80 -71.88 -47.32 53.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 63.51 110.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' 2048 ' ' PHE . 0.6 OUTLIER -62.11 -29.21 70.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.23 110.992 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.6 -52.17 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 75.04 109.233 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 49.1 m -83.18 -66.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 73.23 110.028 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.06 89.16 2.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 75.21 111.033 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2093 ' ' ASN . . . . . 0.406 ' O ' ' OD2' ' A' 2096 ' ' ASP . 0.7 OUTLIER -149.09 133.6 17.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 0.785 . . . . 72.44 109.27 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.8 p -72.67 -40.83 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 75.32 109.25 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -49.93 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 75.04 109.315 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' 2097 ' ' LEU . 0.0 OUTLIER -65.48 -45.49 83.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.34 109.398 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.562 HD21 ' CE1' ' A' 2088 ' ' TYR . 14.5 tp -58.65 -38.08 77.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 73.25 109.3 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.1 m -61.79 -50.5 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 73.43 110.439 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -47.87 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 73.44 110.312 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2100 ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' 2084 ' ' TRP . . . -56.26 -48.17 77.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 70.22 109.366 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.437 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 1.4 m95 -55.52 -37.35 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 74.24 107.954 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.3 -48.06 83.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.35 109.298 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 4.4 mp -54.65 -54.07 46.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 74.35 109.255 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' 2081 ' ' ALA . 18.9 m-85 -56.38 -56.87 15.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 75.43 110.93 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.547 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.78 -33.47 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 73.1 110.881 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.44 -55.12 26.8 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 74.24 109.578 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.633 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.5 m -66.44 -44.26 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 71.2 109.263 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.652 ' CE1' ' CE3' ' A' 2027 ' ' TRP . 15.0 m-85 -66.22 -29.24 69.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 75.45 110.879 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.547 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.1 ttm180 -76.35 -32.86 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.42 110.309 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -51.63 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.43 110.247 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.533 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 12.6 pt -43.53 -38.98 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 73.54 109.262 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 41.8 t -80.54 -54.38 5.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 70.31 110.087 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 75.13 109.312 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.343 -0.614 . . . . 74.02 109.343 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.617 ' CG ' ' CE ' ' A' 2058 ' ' MET . 9.6 m0 -48.44 -51.79 25.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 75.54 107.963 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.9 m80 -46.97 -23.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.324 1.015 . . . . 75.14 109.585 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' 2022 ' ' LEU . 2.0 tm-20 -70.67 -35.3 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 71.41 110.186 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.503 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -77.94 -29.73 50.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 75.45 111.046 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.631 ' CE3' ' CZ ' ' A' 2108 ' ' PHE . 55.1 m95 -69.4 -49.6 53.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.918 -1.141 . . . . 73.22 107.918 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' 2029 ' ' GLU . 0.0 OUTLIER -61.42 -56.07 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 73.33 109.58 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' 2028 ' ' HIS . 1.5 mm-40 -57.93 -43.39 86.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 72.45 110.306 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.2 -63.43 4.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.583 1.177 . . . . 75.03 110.92 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.749 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 5.4 mt -56.32 -30.59 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 74.24 109.229 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -55.84 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 71.43 110.309 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.62 -46.54 63.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 74.14 110.322 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -56.49 -47.63 78.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 73.43 109.305 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.7 m -56.74 -45.46 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 62.33 110.043 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -32.5 70.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.42 110.41 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2037 ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.9 -34.67 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 75.12 109.282 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 83.7 t80 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 73.15 110.997 -179.999 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.45 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 58.0 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.32 -0.622 . . . . 75.43 109.32 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2044 ' ' VAL . . . . . . . . . . . . . 30.7 m -72.32 -14.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.075 . . . . 75.43 109.231 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.45 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.91 -44.38 60.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 73.41 109.302 179.918 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -53.28 -53.01 36.92 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 74.31 111.027 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.545 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 7.1 tmm? -53.96 -46.97 71.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 0.738 . . . . 72.22 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.6 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 9.3 m-85 -63.49 -39.2 93.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 64.04 110.994 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.0 mt-10 -75.5 -13.79 60.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.571 1.17 . . . . 72.03 110.281 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.573 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.1 t -84.6 -43.29 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.642 1.214 . . . . 75.52 109.33 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.603 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.59 -46.53 25.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 71.21 109.271 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.6 OUTLIER -34.6 -55.34 0.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 71.21 110.284 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.573 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.5 Cg_endo -74.96 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 71.33 110.961 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.464 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 16.9 mt -49.3 -56.65 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 75.43 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 62.9 m170 -59.57 -50.45 73.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 75.5 109.63 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.67 -49.9 61.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 71.51 109.3 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.55 -39.36 57.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 71.01 110.957 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.617 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 2.3 mmt -67.9 -33.56 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 72.33 110.959 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.708 ' HE2' HD22 ' A' 2071 ' ' ASN . 4.9 mm-40 -73.21 -63.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 74.15 110.275 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' 2056 ' ' ALA . 3.5 ptt180 -71.46 -18.59 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.414 1.071 . . . . 73.34 110.28 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2057 ' ' MET . . . -116.64 79.83 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.147 . . . . 75.25 111.006 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.581 1.832 . . . . 60.45 110.959 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.5 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -145.9 -80.45 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.625 1.203 . . . . 75.43 110.296 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' 2063 ' ' GLN . 27.0 p -156.95 -173.47 4.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 71.33 110.359 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -32.91 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.263 0.977 . . . . 73.34 109.341 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.3 86.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.23 109.368 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.534 ' HG2' ' CZ3' ' A' 2023 ' ' TRP . 0.3 OUTLIER -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.2 110.232 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 39.5 m -61.85 -36.13 80.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 73.54 110.377 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.12 74.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.626 1.204 . . . . 55.52 110.124 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 38.8 t80 -63.18 -52.39 62.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 74.25 111.011 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.708 HD22 ' HE2' ' A' 2059 ' ' GLU . 0.9 OUTLIER -62.03 -29.47 70.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 74.5 109.371 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.78 -39.0 31.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 72.32 110.322 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -57.9 -24.78 59.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.42 109.412 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.534 ' CD1' HG13 ' A' 2107 ' ' VAL . 35.9 m-85 -118.45 -13.6 9.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 73.34 111.009 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.86 -38.87 4.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 65.05 111.022 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2076 ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -81.59 -26.24 35.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 75.34 110.367 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' 2074 ' ' TYR . 73.7 m-20 -80.12 -52.39 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 74.11 109.283 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.451 ' O ' ' CB ' ' A' 2082 ' ' GLN . 4.4 mt -57.03 -43.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 72.34 109.275 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2079 ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' 2080 ' ' GLU . 11.1 ptm -66.48 -40.58 89.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 75.12 110.966 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.489 ' N ' ' HG3' ' A' 2079 ' ' MET . 54.7 tt0 -67.71 -57.92 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 73.42 110.326 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' A' 2103 ' ' LEU . . . -56.93 -43.22 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 72.45 109.384 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2082 ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.9 tp60 -58.32 -39.28 79.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 71.31 110.251 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -37.89 89.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 60.13 110.225 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.4 m95 -66.07 -35.03 79.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 72.32 108.013 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.7 t -61.56 -48.07 82.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 71.14 108.341 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' 2082 ' ' GLN . 5.4 mtp180 -59.98 -38.73 83.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.34 110.233 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' 2091 ' ' SER . 6.5 mtpm? -59.98 -42.39 94.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.54 109.329 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.583 ' CE2' HD21 ' A' 2097 ' ' LEU . 1.4 t80 -73.35 -48.28 35.51 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.48 1.112 . . . . 71.23 110.994 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.55 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 0.9 OUTLIER -56.91 -30.37 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.665 1.228 . . . . 62.11 111.048 179.914 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.69 -56.74 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 74.45 109.347 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.5 t -72.02 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 61.24 110.021 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.63 83.67 1.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.398 1.061 . . . . 65.41 110.968 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.26 121.45 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 71.44 109.305 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.23 -20.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.41 1.069 . . . . 75.55 109.332 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.3 tptt -62.78 -50.85 69.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 72.11 109.29 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -37.38 75.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 72.45 109.259 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' 2088 ' ' TYR . 0.3 OUTLIER -65.61 -47.14 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 73.03 109.299 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -59.59 -43.45 93.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 75.4 110.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 74.2 110.262 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.31 -44.95 84.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 53.25 109.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.448 ' CE2' ' HG3' ' A' 2047 ' ' MET . 0.1 OUTLIER -66.37 -30.9 71.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.32 108.054 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.44 -50.64 64.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 74.41 109.284 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 9.3 mt -57.74 -46.99 83.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.378 1.049 . . . . 74.35 109.23 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.469 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 12.8 m-85 -61.95 -47.06 86.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 72.34 111.051 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.82 -48.59 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 72.42 111.019 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.49 -44.5 96.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.425 1.078 . . . . 74.22 109.502 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.534 HG13 ' CD1' ' A' 2074 ' ' TYR . 3.4 t -61.75 -57.04 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 75.33 109.356 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.749 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 25.2 m-85 -64.66 -27.34 68.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 74.44 111.021 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' 2105 ' ' TYR . 3.9 ttm180 -73.93 -26.7 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 64.14 110.242 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -51.98 10.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 74.23 110.287 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.553 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 11.9 pt -43.18 -34.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 62.01 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 79.1 p -84.0 -53.65 5.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.463 1.102 . . . . 63.41 109.988 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 2113 ' ' LYS . . . . . 0.441 ' NZ ' ' NE ' ' A' 2109 ' ' ARG . 3.5 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 74.41 109.38 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.269 -0.641 . . . . 71.02 109.269 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.577 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -78.44 -51.05 10.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.158 . . . . 74.41 108.05 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m170 -47.15 -22.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 74.4 109.678 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.2 tp10 -68.72 -35.25 76.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 74.15 110.324 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.529 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -79.55 -33.09 42.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 64.44 111.082 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.673 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 64.6 m95 -67.68 -47.71 68.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 75.14 108.005 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -57.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 63.32 109.585 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.2 OUTLIER -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.351 1.032 . . . . 65.31 110.279 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.65 -62.85 5.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 71.33 110.983 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.755 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 4.6 mt -60.21 -32.0 70.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 0.804 . . . . 71.0 109.379 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' 2036 ' ' ARG . 37.2 mt-10 -54.15 -47.69 71.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 74.43 110.316 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.446 ' OE1' ' CD2' ' A' 2037 ' ' LEU . 0.0 OUTLIER -78.15 -50.6 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 72.22 110.29 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.506 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.7 -46.46 70.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.33 109.256 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' 2031 ' ' LEU . 41.2 t -67.47 -44.08 79.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 65.14 109.968 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2036 ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' 2032 ' ' GLU . 2.3 mtp180 -54.57 -51.93 63.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.363 1.039 . . . . 65.11 110.374 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.495 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 3.5 pp -70.1 -41.2 74.31 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 75.41 109.345 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.424 ' N ' HD12 ' A' 2037 ' ' LEU . 49.4 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 72.2 110.965 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.461 ' ND2' ' NZ ' ' A' 2045 ' ' LYS . 19.7 m-20 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.318 -0.623 . . . . 74.24 109.318 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.45 ' CB ' HD23 ' A' 2097 ' ' LEU . 35.8 m -82.76 -27.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 74.25 109.273 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.461 ' NZ ' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.83 -39.53 25.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.385 1.053 . . . . 74.24 109.323 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -57.75 -53.89 41.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 75.34 111.061 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.569 ' HE2' ' CE1' ' A' 2048 ' ' PHE . 4.7 tmm? -53.29 -42.39 66.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 0.731 . . . . 72.13 110.921 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.616 ' CD1' ' SG ' ' A' 2085 ' ' CYS . 13.0 m-85 -65.56 -36.98 85.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 70.44 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.549 ' O ' ' CD ' ' A' 2053 ' ' PRO . 26.9 mt-10 -75.63 -14.59 60.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.608 1.192 . . . . 75.52 110.309 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.585 ' C ' ' HD2' ' A' 2053 ' ' PRO . 18.9 t -84.41 -43.95 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.624 1.203 . . . . 75.21 109.225 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.63 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.88 -45.23 28.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 75.11 109.359 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.448 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.39 -54.41 1.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 71.21 110.341 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.585 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.01 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 71.51 110.988 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.472 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -48.89 -55.37 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 74.42 109.28 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 67.5 m170 -59.81 -52.01 67.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.517 1.136 . . . . 75.3 109.654 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.95 -49.87 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 64.31 109.254 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.13 -37.96 49.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 72.4 110.965 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.577 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -67.9 -35.33 78.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 74.11 111.076 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' 2055 ' ' HIS . 7.3 mm-40 -72.47 -63.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.368 1.042 . . . . 73.43 110.296 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' 2056 ' ' ALA . 15.0 ptm180 -72.09 -14.82 61.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 75.12 110.357 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.54 73.26 0.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.629 1.206 . . . . 64.52 110.974 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 74.3 111.061 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.44 ' O ' ' CG2' ' A' 2064 ' ' THR . 3.5 tt0 -147.5 -72.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.35 1.031 . . . . 63.1 110.392 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' 2063 ' ' GLN . 12.8 p -156.3 176.69 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 74.55 110.353 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -27.63 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 74.42 109.382 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -38.88 78.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 70.21 109.316 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.499 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -78.9 -20.81 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 73.41 110.309 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.2 m -60.2 -26.72 66.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 74.33 110.352 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -32.28 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 75.13 109.939 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.461 ' CE2' HG21 ' A' 2111 ' ' ILE . 32.5 t80 -68.6 -47.91 65.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.456 1.098 . . . . 75.11 111.027 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 4.3 t-20 -71.79 -28.58 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.45 109.31 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.27 -52.4 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 74.12 110.337 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.36 -49.56 5.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 73.11 109.285 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.593 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.2 m-85 -95.34 -16.43 22.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 74.42 110.972 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.25 -33.74 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 72.13 111.075 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2076 ' ' ARG . . . . . 0.554 ' CD ' ' N ' ' A' 2077 ' ' ASP . 0.0 OUTLIER -79.58 -41.28 27.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 62.12 110.322 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' 2076 ' ' ARG . 13.0 m-20 -62.46 -57.84 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.592 1.182 . . . . 53.4 109.362 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 9.1 mp -52.25 -44.3 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 73.44 109.301 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2079 ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.2 OUTLIER -51.36 -49.78 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 71.43 110.952 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.0 tt0 -70.88 -48.17 55.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.04 110.28 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.538 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -53.55 -45.1 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 64.2 109.285 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -63.15 -36.92 85.22 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.572 1.17 . . . . 74.5 110.355 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.536 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -62.91 -35.29 79.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 74.45 110.299 179.896 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.7 m95 -76.87 -25.51 53.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.956 -1.127 . . . . 64.04 107.956 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.616 ' SG ' ' CD1' ' A' 2048 ' ' PHE . 3.3 t -70.97 -58.43 3.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.656 1.222 . . . . 75.25 108.326 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.536 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.9 OUTLIER -66.05 -28.27 68.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 72.23 110.339 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -70.09 -38.27 75.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.41 109.307 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.524 ' CZ ' HD21 ' A' 2097 ' ' LEU . 14.5 t80 -77.1 -40.79 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 64.5 111.038 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 2.6 mtt -60.43 -44.12 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 63.14 111.032 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -56.92 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.354 1.034 . . . . 75.12 109.277 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.91 81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.13 109.962 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -131.89 -140.02 4.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 42.35 110.971 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -149.56 159.59 44.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.51 0.77 . . . . 75.14 109.312 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -36.98 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 73.2 109.246 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -49.6 44.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.44 1.088 . . . . 75.53 109.301 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.401 ' CG ' ' HE2' ' A' 2087 ' ' LYS . 27.5 m-20 -64.78 -39.6 93.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 75.3 109.298 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.524 HD21 ' CZ ' ' A' 2088 ' ' TYR . 0.7 OUTLIER -62.68 -46.79 86.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 73.53 109.31 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.8 m -59.02 -39.7 82.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 72.23 110.449 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2099 ' ' GLN . . . . . 0.402 ' O ' ' CD1' ' A' 2103 ' ' LEU . 1.5 tt0 -60.44 -50.16 74.71 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.633 1.208 . . . . 74.22 110.373 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -54.01 -49.48 68.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.41 109.3 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.49 ' CE2' ' HG3' ' A' 2047 ' ' MET . 0.0 OUTLIER -60.71 -37.09 80.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 74.41 107.997 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.69 -51.32 70.03 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 75.3 109.291 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.5 mp -54.84 -53.96 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 70.41 109.317 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 13.8 m-85 -54.88 -54.51 41.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.5 111.007 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.559 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.76 -38.49 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 75.05 110.961 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -54.47 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.31 109.652 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.593 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -65.87 -49.93 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.18 . . . . 72.52 109.311 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.755 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 16.6 m-85 -61.32 -28.68 69.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.357 1.035 . . . . 73.23 111.033 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.559 ' CB ' ' O ' ' A' 2105 ' ' TYR . 28.1 ttt180 -74.96 -32.61 61.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 73.52 110.306 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -70.28 -51.45 30.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 73.32 110.233 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' 2108 ' ' PHE . 18.1 pt -44.9 -31.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 75.02 109.287 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2112 ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' 2113 ' ' LYS . 6.0 m -82.43 -57.01 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.31 109.97 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 2113 ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 74.32 109.333 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.258 -0.645 . . . . 75.12 109.258 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.589 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.4 m0 -49.15 -48.09 45.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.114 . . . . 72.22 107.991 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.0 m170 -47.15 -22.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 75.02 109.554 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' 2022 ' ' LEU . 14.2 tp10 -70.27 -37.57 74.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 73.41 110.346 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -73.93 -32.36 63.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.622 1.201 . . . . 61.52 111.028 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 61.7 m95 -68.1 -50.15 56.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.97 -1.122 . . . . 75.34 107.97 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -43.7 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 75.34 109.596 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' 2025 ' ' GLU . 5.9 mm-40 -66.49 -40.92 89.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.578 1.174 . . . . 72.25 110.339 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -56.47 -61.95 6.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 74.42 110.952 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.754 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 3.3 mt -59.33 -32.84 70.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 75.42 109.32 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -54.36 38.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.13 110.319 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 74.41 110.291 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.85 -44.98 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 74.45 109.293 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.7 p -74.31 -47.82 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 75.52 109.944 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -51.19 -51.16 56.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 74.41 110.301 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' 2043 ' ' ASN . 2.9 pp -66.78 -43.34 84.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 72.52 109.343 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.446 ' N ' HD11 ' A' 2037 ' ' LEU . 48.1 t80 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.327 1.017 . . . . 71.41 111.009 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.6 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.279 -0.637 . . . . 75.42 109.279 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.588 HG12 ' CE2' ' A' 2048 ' ' PHE . 42.8 t -60.96 -25.69 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 75.41 109.338 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -50.61 -33.66 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 72.3 109.309 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -63.33 -53.86 36.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.542 1.151 . . . . 53.44 111.04 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.624 ' CE ' ' CE1' ' A' 2048 ' ' PHE . 8.7 tmm? -52.93 -41.93 64.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.565 0.803 . . . . 74.44 111.032 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.624 ' CE1' ' CE ' ' A' 2047 ' ' MET . 14.7 m-85 -68.3 -37.18 80.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 74.51 111.013 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 33.8 mt-10 -76.17 -14.02 60.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.45 110.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.57 ' C ' ' HD2' ' A' 2053 ' ' PRO . 17.5 t -84.41 -44.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 75.21 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.61 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.56 -45.56 30.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 73.42 109.286 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.11 -55.21 1.02 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 73.22 110.392 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.57 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.99 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 75.12 110.988 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.478 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -48.94 -56.27 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 72.03 109.329 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' 2051 ' ' LEU . 27.0 m170 -58.88 -52.48 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.063 . . . . 63.34 109.585 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.73 -50.2 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 53.51 109.293 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.522 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.14 -37.23 45.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 65.54 111.011 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.3 mmt -68.93 -32.49 72.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.546 1.154 . . . . 75.24 110.995 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.09 -64.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.32 110.278 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.9 OUTLIER -71.24 -16.96 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 75.33 110.3 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.26 76.35 0.32 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.595 1.185 . . . . 32.31 111.017 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.389 1.731 . . . . 71.23 111.014 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.477 ' O ' ' CG2' ' A' 2064 ' ' THR . 2.2 tp60 -151.78 -76.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.32 110.349 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' 2063 ' ' GLN . 39.9 p -156.27 179.92 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 74.53 110.388 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2065 ' ' LEU . . . . . 0.402 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -59.87 -27.86 67.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.11 109.326 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -35.21 80.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 73.53 109.254 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -22.45 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 73.4 110.318 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' 2072 ' ' GLN . 1.0 OUTLIER -60.35 -36.62 78.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.31 110.542 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 37.8 m -73.37 -32.0 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 75.0 109.963 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.423 ' CE1' HG21 ' A' 2111 ' ' ILE . 71.6 t80 -66.26 -52.19 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 73.32 111.062 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.506 ' O ' ' CA ' ' A' 2075 ' ' GLY . 2.0 t-20 -66.0 -29.08 69.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 72.21 109.302 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2072 ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' 2068 ' ' THR . 4.9 mm-40 -78.11 -51.44 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 74.24 110.329 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.25 -53.55 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 42.41 109.222 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.639 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.6 m-85 -92.78 -17.42 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 74.32 110.965 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.16 -29.79 0.23 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.612 1.195 . . . . 72.32 110.994 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.83 -45.42 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 71.35 110.232 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.456 ' CB ' HG13 ' A' 2107 ' ' VAL . 3.4 m-20 -62.09 -58.09 9.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.32 109.377 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 9.8 mp -52.95 -36.1 59.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 71.34 109.314 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2079 ' ' MET . . . . . 0.43 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.0 OUTLIER -56.36 -53.84 52.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.433 1.083 . . . . 73.43 110.994 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.53 ' HG3' ' CD1' ' A' 2103 ' ' LEU . 2.8 pt-20 -72.38 -36.62 68.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.434 1.084 . . . . 74.32 110.243 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.52 ' N ' ' HG2' ' A' 2080 ' ' GLU . . . -63.28 -41.9 99.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 72.1 109.354 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -33.57 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 70.23 110.309 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -36.71 79.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 71.22 110.266 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' 2080 ' ' GLU . 97.1 m95 -67.76 -37.03 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.54 108.121 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.2 t -61.04 -50.65 72.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 74.13 108.383 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -41.56 86.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 74.53 110.261 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.24 -46.12 79.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 75.31 109.289 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 1.2 t80 -69.78 -46.69 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 75.45 111.041 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.572 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.7 mtt -58.38 -27.55 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 72.21 111.062 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -56.23 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 72.45 109.309 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 38.3 m -78.14 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 62.15 110.024 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.57 86.23 1.92 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 74.33 111.014 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.77 118.79 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 75.35 109.303 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -53.79 -30.6 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.592 1.183 . . . . 63.22 109.29 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.14 -50.28 73.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 72.54 109.241 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' 2096 ' ' ASP . 0.0 OUTLIER -67.5 -39.71 85.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.351 1.032 . . . . 54.03 109.238 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.558 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 12.5 tp -62.59 -43.0 99.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 74.23 109.308 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 19.4 m -61.07 -47.25 87.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.645 1.216 . . . . 50.42 110.389 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -45.69 81.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 74.23 110.253 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.0 88.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.22 109.335 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.438 ' O ' ' HB2' ' A' 2105 ' ' TYR . 0.0 OUTLIER -63.69 -30.44 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 75.23 108.071 179.888 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.18 -48.65 67.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 71.23 109.319 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.53 ' CD1' ' HG3' ' A' 2080 ' ' GLU . 14.2 mt -57.64 -51.63 68.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 75.44 109.301 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' 2081 ' ' ALA . 19.7 m-85 -54.35 -55.67 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 74.04 110.962 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.85 -38.89 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 72.41 110.996 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.94 -54.2 49.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 74.43 109.512 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -68.18 -49.03 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 74.23 109.348 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.754 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 13.6 m-85 -60.34 -29.06 68.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 62.2 110.959 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' A' 2105 ' ' TYR . 1.7 ttm105 -75.29 -35.0 61.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 74.05 110.352 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -67.31 -51.48 52.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 74.42 110.229 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.521 ' CG1' ' O ' ' A' 2108 ' ' PHE . 17.1 pt -45.26 -33.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.2 109.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 72.9 m -88.16 -52.92 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 72.14 109.948 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 74.11 109.338 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.667 ' CD1' ' N ' ' A' 2022 ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.283 -0.636 . . . . 74.42 109.283 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.533 ' CG ' ' HE1' ' A' 2058 ' ' MET . 9.9 m0 -43.95 -52.38 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 73.12 108.053 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.516 ' CG ' HD21 ' A' 2022 ' ' LEU . 17.8 m170 -44.07 -37.49 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.517 1.135 . . . . 74.42 109.645 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' A' 2022 ' ' LEU . 0.8 OUTLIER -60.21 -36.32 77.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 54.24 110.266 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.512 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -71.4 -29.65 65.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 72.41 111.008 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.564 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 79.3 m95 -71.94 -48.52 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.103 -1.073 . . . . 74.44 108.103 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 m170 -62.94 -59.48 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 63.13 109.608 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.2 tt0 -59.29 -46.45 88.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 75.52 110.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.16 -63.69 4.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 73.23 110.99 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' 2108 ' ' PHE . 4.3 tp -58.02 -30.39 66.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 0.81 . . . . 75.22 109.291 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.509 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.45 -46.81 76.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 72.14 110.318 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.509 ' N ' ' HG2' ' A' 2032 ' ' GLU . 1.3 tt0 -73.01 -50.51 22.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 64.14 110.34 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.484 ' HB2' ' CG ' ' A' 2047 ' ' MET . . . -56.3 -48.9 75.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 75.23 109.283 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 13.0 t -57.64 -43.33 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.42 1.075 . . . . 54.11 110.032 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -34.99 73.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 75.12 110.205 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.413 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 2.6 mt -70.22 -35.09 73.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 65.04 109.303 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 72.15 111.01 -179.982 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.476 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 28.6 m-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.28 -0.637 . . . . 63.3 109.28 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.609 HG13 ' CE2' ' A' 2048 ' ' PHE . 14.4 t -67.9 -19.65 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 72.1 109.231 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.476 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.77 -40.58 55.29 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.533 1.146 . . . . 72.43 109.332 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' 2049 ' ' GLU . . . -52.26 -52.94 33.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.625 1.203 . . . . 74.51 110.981 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' 2034 ' ' ALA . 11.4 tmm? -56.77 -52.88 63.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 74.31 111.028 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.664 ' CD2' ' CE ' ' A' 2089 ' ' MET . 5.9 m-85 -51.38 -46.08 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 72.21 111.068 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.4 pt-20 -73.2 -14.54 61.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 75.13 110.344 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.577 ' C ' ' HD2' ' A' 2053 ' ' PRO . 24.1 t -87.68 -43.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 75.31 109.361 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.6 ' HB3' ' CE1' ' A' 2055 ' ' HIS . 0.4 OUTLIER -78.01 -39.21 42.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 74.11 109.301 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -42.59 -55.08 7.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 71.02 110.328 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.577 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -75.0 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.657 1.872 . . . . 73.24 110.975 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.465 ' CD2' ' SD ' ' A' 2026 ' ' MET . 43.8 mt -48.96 -55.42 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 75.21 109.32 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.6 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 35.1 m170 -60.6 -53.04 62.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 75.03 109.526 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.95 -49.73 59.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 70.13 109.269 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.547 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.38 -38.48 53.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 74.15 111.013 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.533 ' HE1' ' CG ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -70.26 -30.02 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 75.53 110.99 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.2 mm-40 -77.77 -63.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 71.31 110.258 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.9 ptm180 -72.73 -21.77 60.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 74.13 110.272 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.547 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.83 83.68 0.34 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.439 1.087 . . . . 50.14 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.96 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.778 . . . . 71.44 111.027 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 16.6 tp60 -144.76 -71.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 73.44 110.233 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 5.3 t -162.2 175.79 11.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 72.34 110.417 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -39.72 69.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 73.13 109.278 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -57.37 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 70.15 109.271 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 1.7 tp10 -63.63 -31.81 73.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 74.42 110.298 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 29.6 m -54.79 -32.61 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 74.43 110.379 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 75.1 109.97 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.495 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 48.5 t80 -62.81 -53.06 60.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 74.44 110.946 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.72 -29.83 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 75.35 109.277 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -77.41 -53.88 7.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 72.23 110.321 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -52.63 -32.85 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.53 109.324 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.495 ' CE2' ' CE1' ' A' 2070 ' ' PHE . 3.0 m-85 -90.92 -30.8 16.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 72.34 111.113 179.874 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -42.46 -27.85 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 73.41 110.961 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -44.28 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 0.805 . . . . 75.15 110.294 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' 2074 ' ' TYR . 48.0 m-20 -67.09 -55.09 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 75.33 109.304 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.463 HD13 HG12 ' A' 2107 ' ' VAL . 4.5 mp -52.39 -43.87 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 73.55 109.249 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.4 ttm -56.05 -50.76 70.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 74.43 110.996 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.503 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.2 tt0 -65.62 -49.23 69.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 74.43 110.361 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.586 ' HB3' ' CE2' ' A' 2104 ' ' TYR . . . -55.85 -42.14 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.435 1.084 . . . . 73.43 109.381 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2082 ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.9 OUTLIER -61.27 -36.98 81.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 72.22 110.302 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.492 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 73.41 110.294 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.434 ' HB2' ' CB ' ' A' 2100 ' ' ALA . 98.0 m95 -74.86 -24.12 58.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 75.22 107.963 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.608 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.44 -58.86 4.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 54.15 108.24 -179.895 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.6 OUTLIER -62.09 -28.44 69.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 73.44 110.27 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.49 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -61.66 -50.59 71.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 73.34 109.27 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' 2092 ' ' GLY . 0.5 OUTLIER -71.16 -42.57 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 75.13 111.04 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.664 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -55.46 -36.28 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 64.32 110.953 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -56.82 2.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 74.2 109.326 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.2 t -63.0 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 63.54 110.027 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.4 82.98 1.67 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 65.22 110.97 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t30 -162.59 113.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 75.03 109.328 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.3 t -52.46 -28.41 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 71.02 109.294 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -53.06 47.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.33 109.356 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.2 -34.62 78.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 72.2 109.232 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.433 ' CD1' HG12 ' A' 2044 ' ' VAL . 0.3 OUTLIER -65.41 -44.52 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.51 109.304 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -59.53 -52.32 66.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 70.42 110.438 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -52.77 -49.15 66.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 71.24 110.271 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 2100 ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' 2084 ' ' TRP . . . -57.89 -48.17 80.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 65.05 109.246 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.56 -32.98 70.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 75.12 108.058 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -51.58 69.0 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.621 1.201 . . . . 75.4 109.278 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.503 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.8 mp -56.18 -52.86 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 73.42 109.279 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' 2081 ' ' ALA . 6.8 m-85 -57.31 -46.04 83.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.45 110.916 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.969 ' HH ' ' NH2' ' A' 2109 ' ' ARG . 1.1 t80 -49.96 -45.9 51.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.54 110.978 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2106 ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' 2110 ' ' ARG . 18.2 t-160 -63.47 -42.55 98.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 53.23 109.59 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.463 HG12 HD13 ' A' 2078 ' ' LEU . 2.1 t -60.35 -55.62 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 71.31 109.265 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.598 ' CD2' HD23 ' A' 2031 ' ' LEU . 12.7 m-85 -69.11 -27.21 65.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 63.33 111.08 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.969 ' NH2' ' HH ' ' A' 2105 ' ' TYR . 34.3 ttm-85 -77.04 -25.13 52.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.14 110.254 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2110 ' ' ARG . . . . . 0.445 ' HB3' ' OH ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -78.45 -51.08 10.53 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.389 1.056 . . . . 71.42 110.266 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.508 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 13.0 pt -42.44 -29.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 73.23 109.304 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2112 ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' 2110 ' ' ARG . 70.3 p -91.94 -50.1 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 73.45 110.01 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.13 109.321 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.421 ' O ' ' HB3' ' A' 2025 ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.329 -0.619 . . . . 63.13 109.329 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.616 ' CZ3' ' CG ' ' A' 2067 ' ' GLU . 3.8 m0 -66.57 -54.0 28.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 74.54 107.985 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.6 m80 -45.63 -24.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 64.24 109.561 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.1 tt0 -69.94 -36.12 75.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 73.01 110.253 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.491 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -75.79 -32.12 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.12 110.984 -179.958 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.624 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 63.2 m95 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.33 108.056 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -58.7 4.51 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.125 . . . . 75.41 109.548 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.66 -44.68 95.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 71.42 110.377 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.15 -64.36 4.06 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.523 1.139 . . . . 61.05 111.033 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.616 ' CD2' ' CD2' ' A' 2108 ' ' PHE . 5.0 tp -58.15 -29.64 65.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 73.42 109.296 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.17 -52.15 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 71.22 110.322 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.84 -51.27 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 74.53 110.285 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' 2047 ' ' MET . . . -53.42 -49.44 67.31 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.319 1.012 . . . . 74.44 109.228 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' 2031 ' ' LEU . 19.0 t -61.4 -42.02 98.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 73.4 110.089 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -55.1 -36.85 66.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 73.23 110.374 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2037 ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.52 -39.68 70.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 74.32 109.305 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 54.4 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 73.34 111.027 -179.927 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2046 ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.305 -0.628 . . . . 75.14 109.305 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.4 t -46.53 -31.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.479 ' HD3' ' HE2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -55.26 -34.34 63.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 75.44 109.276 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.478 ' N ' ' HG3' ' A' 2045 ' ' LYS . . . -57.41 -55.08 32.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 74.14 110.969 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.463 ' SD ' ' NE1' ' A' 2101 ' ' TRP . 24.4 ttp -54.64 -54.8 36.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 0.732 . . . . 74.3 111.052 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.681 ' CD2' ' CE ' ' A' 2089 ' ' MET . 9.3 m-85 -52.46 -36.93 55.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 72.11 110.973 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.55 ' O ' ' CD ' ' A' 2053 ' ' PRO . 22.7 mt-10 -76.59 -16.19 59.65 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.472 1.107 . . . . 73.25 110.27 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.557 ' C ' ' HD2' ' A' 2053 ' ' PRO . 2.6 t -86.15 -41.93 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 71.43 109.307 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.1 OUTLIER -78.1 -44.6 25.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.5 109.33 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -37.3 -54.74 1.95 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 75.31 110.374 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.557 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.1 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 54.42 110.959 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.519 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 19.6 mt -49.07 -57.73 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.42 109.345 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 38.4 m170 -59.53 -50.45 73.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 73.5 109.593 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.57 -47.07 67.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 74.52 109.216 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.525 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.71 -39.78 58.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 75.12 110.953 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.612 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 3.6 mmt -70.32 -30.27 67.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 75.23 110.916 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.08 -63.14 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 73.34 110.306 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' 2056 ' ' ALA . 13.5 ptt180 -74.74 -16.01 60.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 74.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.2 74.19 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 72.13 110.971 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 64.1 110.989 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.16 -70.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 75.44 110.324 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' 2067 ' ' GLU . 6.8 t -171.91 170.82 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 75.31 110.382 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -29.34 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 75.51 109.309 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -68.49 -37.51 80.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 75.32 109.205 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.616 ' CG ' ' CZ3' ' A' 2023 ' ' TRP . 2.6 tp10 -85.42 -21.33 28.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 73.04 110.294 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' 2072 ' ' GLN . 15.3 m -55.41 -32.17 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 64.23 110.435 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -33.44 73.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.627 1.204 . . . . 74.25 110.002 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.404 ' HE1' ' CZ2' ' A' 2027 ' ' TRP . 42.1 t80 -66.73 -53.27 35.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 72.42 111.063 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.544 ' O ' ' CA ' ' A' 2075 ' ' GLY . 3.8 t30 -62.39 -30.21 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 73.51 109.263 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2072 ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' 2068 ' ' THR . 6.9 mm-40 -79.17 -49.97 11.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 72.41 110.302 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.81 -54.16 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 75.34 109.387 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.661 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.8 m-85 -93.32 -19.81 20.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 74.51 110.953 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.544 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.46 -30.26 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 72.31 111.03 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.6 OUTLIER -80.92 -44.74 17.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.513 0.772 . . . . 74.23 110.252 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' 2074 ' ' TYR . 23.5 m-20 -61.03 -58.96 6.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.353 1.033 . . . . 60.13 109.269 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 8.6 mp -50.93 -44.53 60.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.3 109.198 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2079 ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.2 mtt -50.83 -49.46 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 75.31 110.992 -179.867 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 15.6 tt0 -71.93 -47.42 52.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.15 110.297 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.449 ' N ' HD22 ' A' 2103 ' ' LEU . . . -54.88 -42.66 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 74.34 109.318 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2082 ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' 2085 ' ' CYS . 3.9 tt0 -64.9 -37.48 87.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 72.31 110.317 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -39.61 94.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 51.44 110.253 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.0 m95 -69.28 -34.03 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.934 -1.135 . . . . 74.23 107.934 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.8 t -58.29 -56.59 20.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 65.04 108.337 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -40.01 71.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 74.22 110.271 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' 2091 ' ' SER . 1.6 mtpp -57.67 -46.71 83.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 71.52 109.277 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.48 ' CE1' HD22 ' A' 2097 ' ' LEU . 7.2 t80 -73.37 -34.31 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 74.12 111.056 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.681 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.7 mtt -65.13 -35.32 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 71.23 110.931 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -56.96 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 73.45 109.232 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.9 t -62.97 -64.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 72.23 109.991 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 97.89 79.3 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 55.5 111.033 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.93 109.56 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 73.54 109.341 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -48.19 -35.59 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.624 1.202 . . . . 74.24 109.258 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.4 tttp -49.66 -52.25 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 73.23 109.216 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.3 109.326 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.48 HD22 ' CE1' ' A' 2088 ' ' TYR . 11.8 tp -63.74 -47.88 79.28 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 75.03 109.292 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 25.8 m -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 75.34 110.368 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -47.18 85.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 74.35 110.324 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.88 97.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 63.3 109.341 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.463 ' NE1' ' SD ' ' A' 2047 ' ' MET . 1.9 m95 -60.74 -41.04 94.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.961 -1.125 . . . . 74.34 107.961 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -50.2 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 73.43 109.278 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 4.9 mp -54.23 -54.18 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 72.24 109.328 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.456 ' O ' HG21 ' A' 2107 ' ' VAL . 11.8 m-85 -54.99 -57.75 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 73.33 111.074 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -50.04 -33.33 17.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 74.04 111.024 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -52.99 59.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 72.42 109.541 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.661 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.4 m -68.67 -45.35 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 74.53 109.271 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.624 ' CE1' ' CE3' ' A' 2027 ' ' TRP . 14.4 m-85 -64.51 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.12 111.038 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.55 ' CB ' ' O ' ' A' 2105 ' ' TYR . 5.3 ttm-85 -78.01 -34.33 50.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 72.14 110.3 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.12 -51.41 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 75.23 110.289 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.531 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 18.1 pt -44.73 -38.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 73.31 109.288 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 2112 ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.1 OUTLIER -82.94 -53.23 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 71.45 109.993 -179.922 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A 2113 ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 71.1 109.28 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.614 HD21 ' N ' ' A' 2024 ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 73.11 109.269 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.615 ' CG ' ' CE ' ' A' 2058 ' ' MET . 4.8 m0 -48.29 -50.7 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 72.55 108.025 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.614 ' N ' HD21 ' A' 2022 ' ' LEU . 1.4 m170 -44.51 -25.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 73.51 109.579 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' 2022 ' ' LEU . 3.9 tp10 -70.07 -36.7 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 71.32 110.259 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.655 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.0 OUTLIER -70.56 -39.01 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 74.23 111.018 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.655 ' CD1' ' SD ' ' A' 2026 ' ' MET . 41.7 m95 -65.94 -46.29 78.71 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.958 -1.127 . . . . 75.5 107.958 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -58.49 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 73.22 109.641 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.36 -42.67 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.412 1.07 . . . . 70.22 110.345 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.483 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.68 -64.47 3.88 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.43 1.081 . . . . 74.34 110.965 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.756 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 4.9 mt -56.32 -32.16 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 73.42 109.278 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -53.88 40.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 65.05 110.326 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.62 -48.0 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 71.21 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.44 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -52.47 -49.13 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 71.34 109.329 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 2031 ' ' LEU . 8.0 t -60.69 -48.21 82.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 73.32 109.97 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -50.99 -34.76 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 71.43 110.342 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.516 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 2.0 mt -71.44 -49.47 41.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 75.15 109.384 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 85.3 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 70.32 110.991 -179.99 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 22.6 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.321 -0.622 . . . . 71.21 109.321 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.477 ' CG2' HD11 ' A' 2097 ' ' LEU . 34.1 m -70.43 -16.64 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.513 1.133 . . . . 75.01 109.237 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.56 -45.23 56.92 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.525 1.141 . . . . 73.05 109.274 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.516 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -52.82 -54.05 30.18 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.142 . . . . 72.32 110.944 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.471 ' O ' ' HG ' ' A' 2051 ' ' LEU . 7.3 tmm? -52.83 -52.21 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 64.32 111.057 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.541 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 10.5 m-85 -51.95 -40.93 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 73.5 111.049 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 27.1 mt-10 -76.69 -15.33 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 75.51 110.333 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.567 ' C ' ' HD2' ' A' 2053 ' ' PRO . 5.9 t -87.43 -43.26 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.43 109.302 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.582 ' HB3' ' CE1' ' A' 2055 ' ' HIS . 0.3 OUTLIER -77.21 -39.58 48.14 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 74.1 109.356 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.2 OUTLIER -41.93 -55.72 5.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 75.01 110.293 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.567 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.9 -50.78 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.512 1.796 . . . . 71.42 111.05 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.483 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 13.8 mt -49.02 -55.3 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 73.12 109.301 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 61.6 m170 -60.74 -53.7 54.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 73.21 109.628 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -49.63 -48.79 48.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 64.53 109.266 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.524 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -52.44 -39.99 61.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 71.31 110.985 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.615 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -70.39 -28.15 64.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 75.05 111.062 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' 2055 ' ' HIS . 2.3 mm-40 -77.19 -63.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 71.13 110.37 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -74.92 -20.87 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.43 110.291 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.5 0.3 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.578 1.174 . . . . 71.53 111.013 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.513 1.796 . . . . 73.25 111.031 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.412 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.0 OUTLIER -139.91 -62.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.684 1.24 . . . . 73.52 110.264 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' 2067 ' ' GLU . 1.1 t 179.59 169.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 64.11 110.393 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.96 -28.61 10.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 74.25 109.425 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 12.8 tttp -70.1 -35.07 73.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 72.03 109.33 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' 2064 ' ' THR . 15.0 mm-40 -86.92 -19.43 28.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.48 1.112 . . . . 71.2 110.278 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' 2072 ' ' GLN . 17.5 m -57.9 -29.62 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 74.13 110.32 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 88.3 p -74.87 -34.22 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.368 1.043 . . . . 73.23 109.963 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.48 ' CZ ' HG22 ' A' 2111 ' ' ILE . 41.3 t80 -66.29 -46.35 77.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 73.34 110.912 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' 2075 ' ' GLY . 36.3 t30 -73.22 -27.86 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.31 109.361 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2072 ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' 2068 ' ' THR . 26.4 mt-30 -78.78 -54.53 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.04 110.28 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.27 -42.87 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 74.01 109.305 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.624 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 16.8 m-85 -99.71 -18.92 17.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 75.22 111.0 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -40.7 -29.54 0.27 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 74.04 111.028 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2076 ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' 2074 ' ' TYR . 1.8 ttm180 -77.74 -46.25 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 75.32 110.396 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' 2074 ' ' TYR . 18.1 m-20 -62.94 -57.07 12.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.23 109.336 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 10.0 mp -51.3 -45.55 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.641 1.213 . . . . 75.42 109.341 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 16.9 mmm -51.0 -51.15 55.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 75.01 110.994 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 25.2 tt0 -71.57 -48.76 46.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.32 110.353 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.15 -42.29 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 70.33 109.325 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.65 -40.03 95.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 73.4 110.323 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.614 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -58.16 -39.6 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 64.21 110.348 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.448 ' O ' ' OD1' ' A' 2096 ' ' ASP . 97.2 m95 -71.58 -31.46 66.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 73.41 107.999 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.541 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 9.2 t -68.6 -59.45 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 73.51 108.287 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.614 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.2 OUTLIER -62.01 -35.64 79.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 63.42 110.324 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.12 -31.57 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 74.32 109.254 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' 2088 ' ' TYR . 0.2 OUTLIER -78.73 -32.41 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 64.52 111.08 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.539 ' HE1' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -71.98 -33.96 68.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 74.34 110.983 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -21.44 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 74.52 109.122 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 22.9 t -112.97 -75.19 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 72.33 109.953 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 110.23 110.61 3.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.448 1.092 . . . . 73.24 110.876 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -170.26 113.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 0.707 . . . . 71.05 109.305 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2094 ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' 2095 ' ' LYS . 1.4 p -53.63 -44.28 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 65.12 109.352 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2095 ' ' LYS . . . . . 0.409 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.0 OUTLIER -49.1 -47.06 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 71.33 109.299 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.539 ' OD2' ' C ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -64.01 -40.16 95.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 71.55 109.293 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' 2088 ' ' TYR . 0.8 OUTLIER -57.72 -47.28 82.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 75.23 109.294 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.9 m -59.89 -43.79 94.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.64 1.213 . . . . 63.44 110.372 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -49.3 78.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 73.03 110.385 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.12 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 71.35 109.34 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' 2105 ' ' TYR . 0.2 OUTLIER -58.2 -32.01 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.114 . . . . 74.22 107.991 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.18 -51.68 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 60.21 109.323 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.4 mp -54.06 -52.86 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.354 1.034 . . . . 75.54 109.302 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.46 ' O ' HG21 ' A' 2107 ' ' VAL . 10.3 m-85 -54.89 -56.37 20.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.11 111.041 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.566 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.56 -35.63 9.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 75.24 111.038 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -54.68 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 74.22 109.602 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.624 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.4 m -67.98 -48.43 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.188 . . . . 73.52 109.348 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.756 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 19.4 m-85 -60.75 -29.34 69.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 71.31 111.059 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.566 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.7 ttm180 -74.23 -38.67 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 72.02 110.362 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -63.78 -51.38 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 61.14 110.293 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.51 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 23.5 pt -48.0 -31.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 54.14 109.324 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 29.9 t -88.28 -59.48 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 70.23 109.965 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.176 . . . . 73.01 109.279 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' 2024 ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.272 -0.64 . . . . 73.32 109.272 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.64 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.4 m0 -53.51 -44.69 69.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 73.1 108.034 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.459 ' CE1' ' CD2' ' A' 2022 ' ' LEU . 4.7 m80 -48.2 -23.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 75.51 109.593 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' 2022 ' ' LEU . 22.4 tp10 -68.42 -34.26 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 52.21 110.289 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.675 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.4 OUTLIER -78.36 -33.67 48.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 75.54 110.954 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.675 ' CD1' ' SD ' ' A' 2026 ' ' MET . 6.1 m95 -74.83 -37.03 62.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 75.23 107.981 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.8 OUTLIER -68.22 -58.92 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 74.21 109.613 179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.45 ' N ' ' CD2' ' A' 2028 ' ' HIS . 8.1 pt-20 -68.79 -30.12 68.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 70.34 110.378 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.33 -64.55 4.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 72.31 110.899 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.75 ' HG ' ' CE1' ' A' 2108 ' ' PHE . 5.4 mt -61.59 -32.04 72.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 75.4 109.311 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' 2036 ' ' ARG . 0.0 OUTLIER -53.68 -49.41 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.363 1.04 . . . . 75.12 110.367 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.543 ' HE2' ' HB3' ' A' 2037 ' ' LEU . 0.0 OUTLIER -78.67 -44.6 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.628 1.205 . . . . 74.35 110.373 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.497 ' HB2' ' CB ' ' A' 2047 ' ' MET . . . -58.13 -43.27 87.15 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.473 1.108 . . . . 72.53 109.383 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' 2031 ' ' LEU . 59.5 p -77.14 -46.72 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 71.15 110.113 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2036 ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' 2032 ' ' GLU . 1.3 tmt_? -51.97 -45.87 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 73.4 110.27 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.543 ' HB3' ' HE2' ' A' 2033 ' ' GLU . 1.6 pp -71.5 -44.8 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.442 ' N ' HD13 ' A' 2037 ' ' LEU . 38.9 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 71.52 110.938 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.291 -0.633 . . . . 75.11 109.291 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.634 HG12 ' CE2' ' A' 2048 ' ' PHE . 40.9 t -62.2 -13.17 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 73.23 109.327 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -70.46 -39.17 74.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.41 109.336 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' 2049 ' ' GLU . . . -56.06 -56.82 22.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 62.21 111.059 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.497 ' CB ' ' HB2' ' A' 2034 ' ' ALA . 0.1 OUTLIER -59.52 -41.58 90.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 63.23 110.98 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.662 ' HB3' ' HE2' ' A' 2052 ' ' GLU . 3.0 m-30 -61.77 -41.65 97.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 75.33 111.04 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.566 ' O ' ' CD ' ' A' 2053 ' ' PRO . 6.7 pt-20 -74.08 -13.47 60.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 73.42 110.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.584 ' C ' ' HD2' ' A' 2053 ' ' PRO . 9.3 t -83.12 -46.98 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 72.22 109.213 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.593 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.76 -42.73 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 74.45 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.662 ' HE2' ' HB3' ' A' 2048 ' ' PHE . 0.0 OUTLIER -36.06 -53.86 1.5 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 74.23 110.273 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.584 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.96 -51.81 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.436 1.756 . . . . 70.45 111.031 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' 2026 ' ' MET . 20.3 mt -47.76 -54.6 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 75.4 109.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2055 ' ' HIS . . . . . . . . . . . . . 41.8 m170 -62.01 -46.94 87.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 75.23 109.563 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -54.96 -48.67 72.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.34 109.329 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.489 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -52.3 -38.38 58.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 61.33 110.994 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.64 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -65.12 -45.86 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 73.51 111.005 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.82 -62.4 1.83 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 62.31 110.264 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.2 OUTLIER -64.39 -33.85 76.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.372 1.045 . . . . 72.31 110.289 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -124.73 89.34 0.39 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.409 1.068 . . . . 61.55 111.029 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.448 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -74.98 -94.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 74.24 110.94 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.465 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 0.0 OUTLIER 177.32 -82.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 73.14 110.313 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.28 -169.06 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 64.3 110.406 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -27.18 64.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 71.33 109.296 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 17.2 tttt -77.83 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 72.13 109.305 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 3.1 tp10 -54.08 -19.94 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 72.15 110.252 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' 2072 ' ' GLN . 0.8 OUTLIER -54.52 -26.63 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 71.11 110.382 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -40.06 64.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 71.12 110.041 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 38.5 t80 -63.51 -50.75 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.14 110.974 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.555 ' O ' ' CA ' ' A' 2075 ' ' GLY . 42.1 t-20 -64.6 -28.79 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.51 109.312 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2072 ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' 2068 ' ' THR . 28.3 mt-30 -78.35 -51.13 10.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 73.04 110.273 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.5 -51.8 4.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.02 109.259 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.643 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 24.8 m-85 -96.03 -12.56 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 74.34 111.023 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.555 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.3 -49.06 3.72 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.482 1.114 . . . . 63.11 110.967 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -46.33 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 73.14 110.204 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -50.28 -59.38 4.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 71.45 109.346 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.598 HD13 ' CH2' ' A' 2027 ' ' TRP . 66.0 mt -54.2 -36.41 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 74.3 109.276 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.36 95.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 74.24 110.977 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.1 tt0 -63.5 -56.22 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 71.11 110.297 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.575 ' HB1' ' CE1' ' A' 2104 ' ' TYR . . . -52.72 -43.58 65.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 73.01 109.249 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.41 -42.31 86.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 75.02 110.334 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.39 79.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 63.24 110.208 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.406 ' HB2' ' CB ' ' A' 2100 ' ' ALA . 98.5 m95 -69.01 -32.61 72.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.24 108.041 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' 2081 ' ' ALA . 55.8 m -60.13 -57.72 11.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 65.11 108.328 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -57.98 -37.58 74.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 72.13 110.337 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -62.76 -33.89 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.4 109.275 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.757 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 3.0 t80 -78.26 -47.07 18.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 73.4 110.911 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.7 mtt -58.21 -31.29 67.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 75.13 110.95 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.09 -56.12 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 75.42 109.347 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.7 t -71.53 -64.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 75.01 109.968 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.67 90.26 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 52.42 110.962 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.41 124.5 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.53 109.316 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.7 p -63.9 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.31 109.289 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.25 -52.0 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 74.22 109.358 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.757 ' HD2' ' HB2' ' A' 2088 ' ' TYR . 0.0 OUTLIER -67.36 -36.03 80.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 75.31 109.293 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.469 HD12 ' CG1' ' A' 2044 ' ' VAL . 2.1 tt -62.06 -45.73 92.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 72.22 109.35 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -60.51 -47.1 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.05 110.41 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -50.22 66.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 72.22 110.326 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2100 ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' 2084 ' ' TRP . . . -56.61 -46.32 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 71.15 109.262 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.709 ' CH2' ' CD2' ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.62 -35.19 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 73.25 108.101 179.921 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -49.13 77.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 61.25 109.246 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.6 mp -58.62 -53.27 60.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 73.32 109.362 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.575 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 9.8 m-85 -54.83 -57.92 9.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 72.12 111.014 179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' 2109 ' ' ARG . 0.6 OUTLIER -49.27 -35.51 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 75.31 110.926 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2106 ' ' HIS . . . . . 0.499 ' O ' ' HG3' ' A' 2109 ' ' ARG . 0.2 OUTLIER -63.02 -48.07 80.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.204 . . . . 73.02 109.569 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.643 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.7 m -76.73 -36.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.517 1.135 . . . . 73.1 109.28 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.75 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 6.6 m-85 -70.03 -32.3 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 1.057 . . . . 72.11 110.92 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -82.45 -25.7 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 74.1 110.304 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2110 ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -72.95 -52.24 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 74.24 110.291 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.492 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 4.3 pt -42.47 -28.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 70.3 109.336 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2112 ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' 2110 ' ' ARG . 10.5 m -87.57 -53.97 4.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 61.21 109.968 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 75.13 109.312 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2022 ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' 2025 ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.306 -0.627 . . . . 73.25 109.306 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.622 ' CE3' ' SD ' ' A' 2058 ' ' MET . 7.4 m0 -61.18 -49.24 77.99 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.978 -1.119 . . . . 74.34 107.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.8 m170 -46.28 -24.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 73.55 109.577 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' 2023 ' ' TRP . 25.9 tp10 -68.74 -39.24 80.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.41 110.252 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -73.64 -31.31 63.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.329 1.018 . . . . 75.31 110.997 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.669 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 56.9 m95 -67.68 -48.52 66.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 74.22 107.971 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -66.61 -43.86 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 72.44 109.518 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.8 tt0 -64.86 -46.85 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 63.11 110.289 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.513 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -53.11 -58.51 11.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 64.14 111.004 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.739 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 3.6 mt -61.57 -32.28 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 0.732 . . . . 75.52 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -53.2 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 62.23 110.277 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -79.28 -50.34 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.21 110.219 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.539 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.16 -49.39 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 73.32 109.239 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' 2031 ' ' LEU . 14.5 p -70.4 -36.81 74.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 63.14 110.092 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -54.54 -52.66 61.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 72.34 110.34 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.548 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.6 pp -71.97 -41.13 68.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 72.51 109.268 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' 2047 ' ' MET . 34.3 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.31 111.042 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.8 m-20 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.261 -0.644 . . . . 74.51 109.261 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.551 ' O ' ' CD2' ' A' 2048 ' ' PHE . 4.5 m -83.63 -11.23 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 73.42 109.314 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -36.79 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 74.02 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' 2050 ' ' VAL . . . -59.77 -56.15 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.546 1.154 . . . . 74.31 110.962 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' 2038 ' ' TYR . 0.5 OUTLIER -63.08 -38.8 92.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 0.732 . . . . 75.1 111.064 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.612 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.5 m-85 -69.94 -40.74 75.32 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.463 1.102 . . . . 73.42 111.042 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.586 ' O ' ' CD ' ' A' 2053 ' ' PRO . 16.8 pt-20 -74.89 -13.26 60.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 74.41 110.306 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.556 ' C ' ' HD2' ' A' 2053 ' ' PRO . 24.3 t -83.46 -45.68 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 71.4 109.254 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.625 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -77.11 -44.61 29.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.31 109.316 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 3.1 mt-10 -35.33 -55.61 1.06 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 73.35 110.3 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.586 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -75.04 -49.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 64.4 111.031 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.513 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 15.9 mt -48.85 -56.66 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 72.11 109.285 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 41.3 m170 -60.15 -51.86 67.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 74.25 109.594 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.96 -48.56 60.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 64.12 109.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.37 -39.38 57.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 72.22 110.932 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.622 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.5 mmt -66.89 -34.11 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 62.3 111.055 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' 2055 ' ' HIS . 1.5 mm-40 -74.4 -63.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 72.33 110.288 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 48.5 ptt85 -70.27 -18.21 63.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 74.21 110.289 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.43 77.29 0.29 Allowed Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.434 1.084 . . . . 65.02 111.091 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.05 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.768 . . . . 72.51 110.968 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.502 ' OE1' ' CE2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -149.77 -77.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 63.51 110.372 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' 2067 ' ' GLU . 3.2 p -156.16 -166.0 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 75.25 110.396 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -26.95 68.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 75.42 109.186 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -60.55 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 75.31 109.285 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' 2063 ' ' GLN . 0.5 OUTLIER -57.49 -30.68 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 74.42 110.198 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' 2072 ' ' GLN . 1.0 OUTLIER -54.34 -38.5 66.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.199 . . . . 71.42 110.427 -179.894 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -31.8 62.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 75.32 110.047 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.13 -52.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 74.2 111.005 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.548 ' O ' ' CA ' ' A' 2075 ' ' GLY . 11.0 t30 -64.34 -29.69 70.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 75.31 109.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2072 ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' 2068 ' ' THR . 17.7 mm-40 -79.66 -51.17 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 71.35 110.28 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.24 -50.58 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.182 . . . . 72.44 109.312 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.63 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.3 m-85 -97.84 -14.66 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 74.51 110.963 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.548 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -43.13 -28.72 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.601 1.188 . . . . 74.34 110.953 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2076 ' ' ARG . . . . . 0.432 ' CG ' ' N ' ' A' 2077 ' ' ASP . 3.7 ptm85 -78.8 -45.48 20.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 0.804 . . . . 73.42 110.204 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.432 ' N ' ' CG ' ' A' 2076 ' ' ARG . 13.4 m-20 -64.03 -56.39 15.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.388 1.055 . . . . 62.13 109.367 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.488 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 10.3 mp -51.12 -44.82 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 74.52 109.32 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 34.9 mmm -53.45 -50.53 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 75.31 110.989 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2080 ' ' GLU . . . . . 0.508 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 24.7 tt0 -71.1 -46.95 60.78 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.451 1.094 . . . . 72.13 110.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -53.7 -44.2 69.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 75.15 109.334 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -38.41 91.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 73.54 110.251 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2083 ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -60.66 -36.9 79.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 74.33 110.38 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 98.7 m95 -76.0 -25.32 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 71.02 107.999 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.612 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.4 t -71.11 -59.11 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 71.31 108.405 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2086 ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 4.9 ptt180 -65.4 -28.81 69.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 73.43 110.313 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -69.03 -38.23 79.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 75.2 109.306 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.594 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.1 OUTLIER -75.29 -38.07 60.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.583 1.177 . . . . 75.44 111.064 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.558 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 3.3 mtt -66.72 -34.22 77.36 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.583 1.177 . . . . 65.31 110.999 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -36.41 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 72.31 109.294 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.9 t -90.5 -71.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 71.33 109.961 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 108.98 99.15 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 42.52 110.938 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -168.67 115.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 75.44 109.26 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -54.72 -39.96 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 73.33 109.35 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -52.41 -48.06 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 65.41 109.262 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.418 ' OD2' ' CE ' ' A' 2087 ' ' LYS . 10.4 m-20 -67.69 -34.17 76.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 73.51 109.257 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.594 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 37.7 tp -64.71 -50.01 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 73.4 109.314 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.9 m -59.8 -47.35 86.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 75.44 110.362 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -51.95 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 74.43 110.31 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -53.69 -50.39 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 73.52 109.291 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -33.78 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 75.1 107.967 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -50.28 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 74.32 109.304 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.8 mp -55.8 -53.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.15 109.273 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' 2107 ' ' VAL . 15.1 m-85 -57.95 -55.94 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 74.12 111.046 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.548 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.14 -30.61 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.23 110.972 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -69.22 -54.8 12.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 73.5 109.691 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.63 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.3 m -64.97 -47.46 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.01 109.291 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.739 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 18.7 m-85 -62.95 -29.37 70.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 73.12 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' 2105 ' ' TYR . 32.0 ttm180 -74.82 -31.74 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.31 110.303 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -71.75 -51.47 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 74.42 110.35 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.522 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 18.8 pt -45.26 -31.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 75.53 109.331 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -46.08 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 70.42 109.937 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 75.53 109.381 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.315 -0.624 . . . . 73.33 109.315 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.614 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.1 m0 -76.39 -50.15 14.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.019 -1.104 . . . . 74.52 108.019 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.3 m170 -47.89 -22.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 72.11 109.643 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' 2023 ' ' TRP . 53.1 tp10 -73.15 -36.22 66.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 73.13 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.551 ' HE2' ' CE2' ' A' 2027 ' ' TRP . 0.0 OUTLIER -71.97 -32.7 67.5 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.512 1.133 . . . . 73.4 110.99 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.594 ' CZ3' HG11 ' A' 2107 ' ' VAL . 82.5 m95 -71.95 -51.86 19.99 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.545 1.153 . . . . 74.41 108.046 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.436 ' O ' ' HB3' ' A' 2032 ' ' GLU . 1.2 t60 -52.56 -60.08 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 75.21 109.648 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.459 ' HA ' ' HB3' ' A' 2032 ' ' GLU . 10.3 pt-20 -67.93 -31.17 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 75.21 110.275 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.432 ' CA ' HD23 ' A' 2054 ' ' LEU . . . -58.5 -66.55 2.73 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 51.24 111.029 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.74 ' HG ' ' CE2' ' A' 2108 ' ' PHE . 6.3 mt -61.22 -30.14 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 72.43 109.317 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.64 -49.53 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.185 . . . . 51.33 110.357 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.488 ' N ' ' HG2' ' A' 2032 ' ' GLU . 3.2 tt0 -72.34 -49.98 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 75.02 110.351 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.84 -48.17 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 62.22 109.18 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 8.6 t -57.31 -48.19 79.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 64.35 110.059 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -37.96 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 74.44 110.33 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2037 ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.86 -36.67 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 75.13 109.281 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 75.33 110.99 -179.972 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.396 -0.594 . . . . 73.14 109.396 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.635 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 12.5 t -61.78 -12.69 7.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.407 1.067 . . . . 74.44 109.293 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.19 -40.94 67.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 63.54 109.324 -179.933 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -54.72 -57.39 17.99 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.541 1.151 . . . . 55.35 110.985 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.2 OUTLIER -56.83 -49.35 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 73.41 111.024 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.635 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.0 m-85 -61.64 -34.94 76.56 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 74.51 111.065 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.515 ' O ' ' CD ' ' A' 2053 ' ' PRO . 4.6 mm-40 -76.89 -14.53 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 72.31 110.282 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.611 ' C ' ' HD2' ' A' 2053 ' ' PRO . 2.9 t -85.54 -42.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 72.1 109.358 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.598 ' HB3' ' CE1' ' A' 2055 ' ' HIS . 0.2 OUTLIER -78.03 -43.86 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 72.2 109.293 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.482 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -37.12 -52.96 2.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 74.05 110.387 179.913 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.611 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.97 -51.1 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.323 1.696 . . . . 74.32 110.939 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.04 -55.83 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 64.24 109.367 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 41.3 m170 -62.07 -48.44 80.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.12 109.597 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.84 -50.73 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 74.24 109.27 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.472 ' HE1' ' CE ' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.41 -37.62 49.36 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.43 1.081 . . . . 64.14 111.055 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.614 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.7 OUTLIER -66.56 -40.65 89.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 75.1 111.022 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.2 mm-40 -65.94 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 62.21 110.421 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -65.65 -39.19 91.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 73.02 110.31 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.58 81.75 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 55.02 111.068 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.489 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.1 Cg_endo -74.98 -94.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 75.21 110.984 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.37 -82.87 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.368 1.042 . . . . 72.53 110.241 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2064 ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' 2068 ' ' THR . 7.5 t -155.27 167.14 31.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.5 110.459 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -27.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 63.43 109.281 -179.885 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 10.3 tttt -74.13 -41.52 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 75.04 109.352 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' 2064 ' ' THR . 3.0 tp10 -81.96 -19.59 40.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 64.43 110.229 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2068 ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' 2064 ' ' THR . 6.1 m -56.71 -27.36 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 63.34 110.384 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.0 t -68.71 -52.16 33.79 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 75.33 109.954 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' 2070 ' ' PHE . 5.9 t80 -63.94 -53.81 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 74.14 111.017 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' 2075 ' ' GLY . 13.2 t-20 -50.31 -35.18 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 65.53 109.339 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2072 ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' 2068 ' ' THR . 4.5 mt-30 -79.29 -55.2 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.01 110.326 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.29 -41.81 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 72.03 109.288 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.486 ' O ' ' N ' ' A' 2077 ' ' ASP . 5.2 m-85 -93.98 -32.86 13.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 73.12 111.056 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -45.46 -25.87 1.44 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 75.34 110.959 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -80.97 -35.42 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 64.54 110.333 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.9 m-20 -67.03 -60.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 73.13 109.257 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.588 ' HG ' ' CD2' ' A' 2055 ' ' HIS . 0.1 OUTLIER -52.27 -45.54 65.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 73.44 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2079 ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.5 mtp -51.66 -50.53 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.553 1.158 . . . . 75.54 111.013 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.91 -56.73 14.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 74.11 110.358 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' 2104 ' ' TYR . . . -54.31 -40.71 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.33 109.271 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 73.33 110.266 -179.855 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.58 76.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 72.1 110.298 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2084 ' ' TRP . . . . . 0.52 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 78.4 m95 -66.81 -35.08 79.23 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.521 1.138 . . . . 65.31 108.017 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.617 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 22.4 t -65.16 -52.23 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 71.53 108.304 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -40.19 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 75.34 110.352 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.52 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.1 OUTLIER -67.33 -32.28 73.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 75.11 109.297 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.556 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 4.3 t80 -78.95 -47.9 15.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.388 1.055 . . . . 74.22 111.051 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 6.1 mmm -58.01 -34.87 70.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 75.4 110.999 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -56.13 3.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 71.21 109.269 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.3 t -72.52 -67.09 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 73.24 110.012 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 99.58 88.13 1.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.586 1.179 . . . . 74.32 111.053 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.41 125.35 11.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.574 0.808 . . . . 73.21 109.234 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 p -60.41 -42.83 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 72.54 109.339 179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.64 -47.13 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 72.22 109.217 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2096 ' ' ASP . . . . . 0.447 ' HD2' ' N ' ' A' 2088 ' ' TYR . 1.7 t0 -66.62 -40.97 89.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 70.3 109.381 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 1.7 tp -62.17 -45.61 92.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 73.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.7 m -58.25 -48.35 80.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 61.04 110.38 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -46.1 77.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.623 1.202 . . . . 74.01 110.334 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -56.83 -42.86 80.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 74.54 109.28 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.709 ' CH2' ' CD2' ' A' 2031 ' ' LEU . 0.0 OUTLIER -66.89 -29.48 69.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 73.11 108.026 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -50.74 70.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 73.53 109.189 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 2.3 mt -59.38 -52.65 64.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 74.12 109.331 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2104 ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' 2081 ' ' ALA . 16.6 m-85 -56.74 -51.67 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.22 110.939 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -47.35 -45.62 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.02 111.007 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.17 99.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 65.53 109.642 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.594 HG11 ' CZ3' ' A' 2027 ' ' TRP . 2.2 t -62.62 -58.26 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.067 . . . . 74.11 109.28 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.74 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 52.3 m-85 -63.97 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 75.41 111.005 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -77.06 -43.56 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 72.45 110.3 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -52.18 66.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 71.3 110.308 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.563 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 23.6 pt -44.02 -31.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 73.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 35.6 m -83.47 -50.06 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 64.52 110.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.41 109.269 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 109.251 -0.648 . . . . 74.52 109.251 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2023 ' ' TRP . . . . . 0.631 ' CD2' ' HE2' ' A' 2058 ' ' MET . 18.9 m0 -79.74 -46.47 16.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 72.2 108.016 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2024 ' ' HIS . . . . . 0.454 ' CD2' ' H ' ' A' 2024 ' ' HIS . 2.6 m170 -48.51 -23.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.31 109.554 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2025 ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' 2023 ' ' TRP . 5.6 tp10 -65.62 -33.23 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 64.03 110.242 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2026 ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' 2030 ' ' GLY . 0.4 OUTLIER -78.83 -35.91 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 70.31 110.855 -179.833 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2027 ' ' TRP . . . . . 0.567 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 64.0 m95 -67.64 -39.79 84.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 75.12 107.944 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2028 ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.2 OUTLIER -72.54 -59.33 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.088 . . . . 75.02 109.594 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2029 ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -62.76 -36.4 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 75.34 110.338 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2030 ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.14 -64.66 3.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 72.14 111.019 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2031 ' ' LEU . . . . . 0.605 ' CD2' ' CD2' ' A' 2108 ' ' PHE . 2.4 tp -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 75.22 109.344 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2032 ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' 2028 ' ' HIS . 9.8 mt-10 -55.58 -52.32 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 74.32 110.213 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2033 ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' 2036 ' ' ARG . 0.0 OUTLIER -73.27 -52.11 15.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 75.43 110.259 -179.88 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2034 ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.97 -50.74 65.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 24.31 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2035 ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.2 p -67.35 -32.18 72.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 62.21 110.045 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2036 ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' 2032 ' ' GLU . 0.5 OUTLIER -60.59 -52.62 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 75.02 110.316 -179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2037 ' ' LEU . . . . . 0.573 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.3 pp -72.26 -40.72 67.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 71.04 109.341 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2038 ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' 2101 ' ' TRP . 38.9 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 72.33 111.088 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2043 ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.0 m-20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.191 -0.67 . . . . 70.14 109.191 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2044 ' ' VAL . . . . . 0.534 ' CG1' ' CE1' ' A' 2048 ' ' PHE . 3.1 t -83.1 -28.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 73.44 109.332 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2045 ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -55.5 -34.27 64.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 73.4 109.315 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2046 ' ' GLY . . . . . 0.585 ' O ' ' HG3' ' A' 2049 ' ' GLU . . . -50.32 -52.32 28.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.579 1.174 . . . . 74.13 111.072 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2047 ' ' MET . . . . . 0.559 ' O ' ' HG ' ' A' 2051 ' ' LEU . 26.2 ttp -67.75 -54.99 14.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 54.23 111.043 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2048 ' ' PHE . . . . . 0.551 ' CD1' ' HE3' ' A' 2047 ' ' MET . 22.4 m-85 -52.66 -49.52 65.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 74.33 111.01 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2049 ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -67.02 -17.61 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.14 110.38 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2050 ' ' VAL . . . . . 0.585 ' C ' ' HD2' ' A' 2053 ' ' PRO . 2.9 t -84.79 -44.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 72.21 109.321 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2051 ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' 2047 ' ' MET . 0.2 OUTLIER -78.19 -42.1 32.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 73.42 109.26 -179.903 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2052 ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.9 OUTLIER -37.24 -54.24 2.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 71.23 110.328 179.917 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2053 ' ' PRO . . . . . 0.585 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.398 1.736 . . . . 75.52 110.996 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2054 ' ' LEU . . . . . 0.514 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 36.8 mt -49.0 -56.42 9.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 74.33 109.341 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2055 ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' 2051 ' ' LEU . 34.3 m170 -59.74 -50.68 72.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 75.02 109.638 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2056 ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.43 -50.66 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 74.44 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2057 ' ' MET . . . . . 0.478 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.42 -39.19 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 75.34 110.938 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2058 ' ' MET . . . . . 0.631 ' HE2' ' CD2' ' A' 2023 ' ' TRP . 0.1 OUTLIER -66.93 -35.32 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.14 111.044 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2059 ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.2 mm-40 -74.16 -63.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.11 110.308 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2060 ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.4 ptt85 -72.38 -8.84 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 65.12 110.213 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2061 ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -129.62 62.75 0.64 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.167 . . . . 70.52 110.954 -179.889 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2062 ' ' PRO . . . . . 0.438 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.96 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 74.13 111.012 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2063 ' ' GLN . . . . . 0.481 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -132.96 -68.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 74.52 110.262 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.38 164.65 4.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 74.4 110.319 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.55 -27.98 5.05 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 73.44 109.332 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -42.81 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.628 1.205 . . . . 74.42 109.278 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2067 ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 18.9 tp10 -75.65 -22.12 57.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 64.43 110.373 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 20.2 m -54.47 -27.11 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 75.42 110.372 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.4 m -53.98 -43.71 70.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 72.35 109.983 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2070 ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' 2071 ' ' ASN . 0.7 OUTLIER -69.81 -53.83 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.44 111.038 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2071 ' ' ASN . . . . . 0.515 ' N ' ' CD1' ' A' 2070 ' ' PHE . 60.8 t-20 -48.63 -36.22 15.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 65.52 109.263 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -78.74 -45.35 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 72.01 110.273 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -44.37 -34.75 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 74.23 109.271 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2074 ' ' TYR . . . . . 0.592 ' CD1' HG11 ' A' 2107 ' ' VAL . 71.0 m-85 -108.55 -27.45 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 73.21 110.961 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -41.71 -26.53 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.575 1.172 . . . . 64.22 110.987 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2076 ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.3 OUTLIER -80.57 -46.6 15.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 75.11 110.314 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2077 ' ' ASP . . . . . 0.451 ' HB2' ' CG2' ' A' 2107 ' ' VAL . 9.3 m-20 -66.13 -50.68 63.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 74.23 109.379 179.893 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2078 ' ' LEU . . . . . 0.517 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 11.1 mp -54.54 -40.76 68.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 75.1 109.238 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -49.48 77.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 72.34 111.06 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.22 -48.99 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.31 110.359 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2081 ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' 2103 ' ' LEU . . . -58.14 -43.92 87.54 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.55 1.156 . . . . 63.33 109.196 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2082 ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -64.53 -32.2 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 74.14 110.355 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -35.29 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.317 1.011 . . . . 74.23 110.277 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.876 -1.157 . . . . 72.5 107.876 -179.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2085 ' ' CYS . . . . . 0.424 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 0.9 OUTLIER -68.61 -51.59 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.344 1.027 . . . . 74.33 108.272 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -46.89 87.17 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.52 1.137 . . . . 72.34 110.306 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2087 ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -57.71 -39.11 76.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 63.42 109.22 -179.917 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2088 ' ' TYR . . . . . 0.55 ' CZ ' ' CD1' ' A' 2097 ' ' LEU . 1.5 t80 -71.15 -40.22 71.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.24 110.995 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2089 ' ' MET . . . . . 0.422 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -59.72 -39.05 83.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 63.15 110.989 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.93 -53.8 4.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.4 109.241 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2091 ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.4 t -65.33 -67.21 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 72.24 109.98 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2092 ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 98.16 90.96 1.95 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.449 1.093 . . . . 75.42 110.918 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.53 108.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 0.836 . . . . 72.14 109.312 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 5.9 t -45.94 -41.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 72.13 109.277 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -49.67 -42.21 44.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.631 1.207 . . . . 73.44 109.253 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -69.92 -40.68 75.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 52.15 109.309 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.55 ' CD1' ' CZ ' ' A' 2088 ' ' TYR . 0.3 OUTLIER -63.37 -43.62 97.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 73.15 109.267 -179.905 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -46.05 92.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 73.42 110.397 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.68 -43.75 97.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 75.41 110.323 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 61.2 109.359 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2101 ' ' TRP . . . . . 0.56 ' CD1' ' CZ ' ' A' 2038 ' ' TYR . 0.4 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 75.34 107.986 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -49.72 61.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 63.41 109.31 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2103 ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 25.0 mt -54.0 -51.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.43 109.29 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.72 -45.66 89.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 73.24 110.893 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2105 ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -50.45 -47.93 56.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 72.03 111.002 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -45.21 95.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 72.32 109.601 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2107 ' ' VAL . . . . . 0.592 HG11 ' CD1' ' A' 2074 ' ' TYR . 2.4 t -57.21 -55.78 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 70.43 109.256 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2108 ' ' PHE . . . . . 0.605 ' CD2' ' CD2' ' A' 2031 ' ' LEU . 8.2 m-85 -65.75 -27.39 68.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.371 1.044 . . . . 75.55 110.971 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 2109 ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 0.1 OUTLIER -74.03 -24.54 59.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 74.4 110.3 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.37 -50.25 12.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.598 1.186 . . . . 75.02 110.322 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2111 ' ' ILE . . . . . 0.567 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 0.6 OUTLIER -60.09 -26.75 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 73.3 109.3 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 18.0 t -82.2 -51.72 7.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.634 1.209 . . . . 72.31 110.047 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 74.14 109.376 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.464 0.173 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -112.45 -23.26 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 3.3 mm? 60.94 16.02 6.58 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 2.4 mt -101.73 143.06 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.03 136.0 41.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' 2022 ' ' LEU . 53.0 t -107.0 142.12 24.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.607 1.192 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.405 ' HD2' ' CG1' ' A' 2019 ' ' VAL . 18.0 Cg_endo -75.02 -57.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 1.6 pp -97.21 90.91 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.506 ' CD1' HG12 ' A' 2019 ' ' VAL . 0.8 OUTLIER -154.14 -160.09 1.05 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.59 1.181 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.62 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.4 m0 -71.62 -52.86 15.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.035 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.719 ' CD2' ' CZ ' ' A' 2070 ' ' PHE . 3.8 m170 -47.71 -23.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' 2029 ' ' GLU . 1.3 tt0 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -76.64 -30.87 57.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.485 ' N ' ' HG3' ' A' 2026 ' ' MET . 61.5 m95 -70.35 -51.06 32.69 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 108.089 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.56 ' HE2' ' HB3' ' A' 2112 ' ' SER . 0.2 OUTLIER -58.54 -59.35 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.578 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.2 OUTLIER -63.62 -36.0 82.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.503 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -60.38 -63.9 4.61 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' 2108 ' ' PHE . 7.1 tp -61.17 -34.99 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 0.807 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' 2028 ' ' HIS . 0.3 OUTLIER -53.65 -45.83 70.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -72.26 -50.31 28.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' 2037 ' ' LEU . . . -52.13 -49.56 63.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' 2038 ' ' TYR . 0.2 OUTLIER -64.52 -51.69 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -48.71 59.4 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' 2038 ' ' TYR . 2.4 pp -71.43 -42.01 68.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' 2037 ' ' LEU . 17.0 t80 -53.02 -56.54 15.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2039 ' ' PHE . . . . . 0.407 ' CE1' ' HD2' ' A' 2038 ' ' TYR . 25.8 m-85 -70.55 -29.1 65.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -46.67 -68.92 0.96 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' 2043 ' ' ASN . 7.1 pt-20 -130.41 46.82 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' 2041 ' ' GLU . 0.8 OUTLIER 35.96 37.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' 2041 ' ' GLU . 0.8 OUTLIER -103.85 95.97 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2044 ' ' VAL . . . . . . . . . . . . . 3.1 m -74.39 -15.41 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -51.1 40.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.402 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -54.32 -48.81 62.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.486 ' SD ' ' NE1' ' A' 2101 ' ' TRP . 34.8 ttp -52.83 -48.88 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.962 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.513 ' CG ' ' HE1' ' A' 2089 ' ' MET . 23.0 m-85 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.562 ' O ' ' CD ' ' A' 2053 ' ' PRO . 38.8 mt-10 -75.91 -14.47 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.536 ' C ' ' HD2' ' A' 2053 ' ' PRO . 27.1 t -84.46 -45.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.27 34.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.494 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.2 OUTLIER -35.51 -56.66 1.01 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.562 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.1 Cg_endo -74.97 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.82 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.503 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 18.5 mt -49.01 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' 2051 ' ' LEU . 55.9 m170 -58.78 -52.41 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.609 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.11 -50.26 59.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.535 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.09 -38.64 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.62 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 5.4 mmt -70.73 -29.94 66.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' 2055 ' ' HIS . 3.2 mt-10 -77.65 -63.53 1.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.1 ptt180 -73.12 -21.59 60.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.41 84.9 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.525 1.803 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -143.63 -78.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.247 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.9 t -164.4 174.08 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -30.97 66.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -33.61 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.52 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 4.0 mm-40 -86.94 -20.64 27.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 10.5 m -54.41 -38.46 66.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 58.1 m -66.09 -33.85 76.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.719 ' CZ ' ' CD2' ' A' 2024 ' ' HIS . 1.7 t80 -65.73 -54.13 31.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' 2075 ' ' GLY . 28.8 t-20 -61.81 -29.48 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -78.63 -42.47 28.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.66 -45.08 57.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.606 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 34.1 m-85 -99.01 -16.66 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.07 -44.21 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.657 1.223 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -40.2 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -58.94 -60.27 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 5.4 mt -52.7 -40.71 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 37.6 ttm -54.65 -46.06 73.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.66 -58.99 4.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.496 ' HA ' ' CD1' ' A' 2103 ' ' LEU . . . -54.86 -40.27 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2082 ' ' GLN . . . . . 0.4 ' O ' ' HD3' ' A' 2086 ' ' ARG . 3.7 tt0 -58.0 -41.32 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.44 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.573 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.2 m95 -66.87 -28.77 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.485 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.5 OUTLIER -71.41 -58.32 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' 2082 ' ' GLN . 12.7 mtp180 -55.34 -39.92 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.573 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -65.5 -38.14 88.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.574 ' CE1' HD21 ' A' 2097 ' ' LEU . 0.9 OUTLIER -71.13 -46.9 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.513 ' HE1' ' CG ' ' A' 2048 ' ' PHE . 0.8 OUTLIER -59.93 -35.77 75.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -84.99 -55.92 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' 2087 ' ' LYS . 11.1 t -69.33 -68.42 0.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.2 91.78 2.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.075 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.3 t30 -159.81 120.89 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -56.62 -41.0 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -49.49 -48.38 47.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.7 -37.82 85.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' 2088 ' ' TYR . 4.4 tp -64.14 -44.34 92.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 8.8 m -61.1 -43.81 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -42.68 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.87 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.486 ' NE1' ' SD ' ' A' 2047 ' ' MET . 2.2 m95 -69.32 -30.51 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.33 -50.78 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 13.1 mt -55.0 -50.4 69.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.448 ' O ' HG22 ' A' 2107 ' ' VAL . 7.2 m-85 -54.36 -54.95 33.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.98 -37.97 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -62.31 -48.62 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.606 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -69.53 -49.64 57.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' 2031 ' ' LEU . 17.6 m-85 -62.07 -30.05 70.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 38.9 ttm180 -74.48 -37.19 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -63.9 -51.42 64.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.56 HG21 ' CZ ' ' A' 2070 ' ' PHE . 19.8 pt -48.75 -33.68 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.56 ' HB3' ' HE2' ' A' 2028 ' ' HIS . 4.1 p -86.02 -50.41 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 7.8 tttt -51.34 128.76 23.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 6.5 tpp . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.457 0.17 . . . . 75.3 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -111.99 0.2 15.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 74.35 110.329 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' 2017 ' ' ILE . 0.0 OUTLIER -102.99 -142.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 74.45 109.225 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' 2016 ' ' LEU . 2.5 mp -33.23 138.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.629 1.206 . . . . 75.24 109.339 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.84 138.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 72.11 110.203 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 1.8 p -62.76 130.71 93.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 60.25 109.285 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -34.89 3.59 Favored 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.532 1.806 . . . . 74.13 111.092 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.69 94.0 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 75.53 109.27 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.1 OUTLIER -178.54 148.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 71.34 109.268 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.54 ' CD2' ' HE1' ' A' 2058 ' ' MET . 8.6 m0 -49.57 -51.64 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.022 -1.103 . . . . 72.45 108.022 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 4.6 m80 -47.31 -24.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 74.41 109.626 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.6 tm-20 -66.95 -34.8 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 74.02 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.482 ' HE3' ' CE ' ' A' 2058 ' ' MET . 0.0 OUTLIER -77.15 -32.91 56.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 73.51 110.987 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.635 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 67.6 m95 -64.83 -47.38 78.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.44 108.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -64.83 -58.5 6.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 74.33 109.653 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -57.56 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 73.3 110.29 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' 2029 ' ' GLU . . . -58.44 -63.62 5.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 64.11 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.745 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 3.5 mt -60.44 -29.81 69.25 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.592 0.819 . . . . 74.4 109.294 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 2036 ' ' ARG . 8.1 mm-40 -54.2 -51.26 64.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.382 1.051 . . . . 73.15 110.239 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -79.4 -47.88 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 74.32 110.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.95 -44.33 74.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 65.32 109.312 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.1 m -73.33 -45.94 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 74.44 109.957 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' 2032 ' ' GLU . 12.1 mtp180 -51.75 -51.06 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 73.54 110.315 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.483 ' CD2' ' HA3' ' A' 2046 ' ' GLY . 2.8 pp -68.11 -39.08 82.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.32 109.335 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.416 ' O ' ' O ' ' A' 2041 ' ' GLU . 66.3 t80 -60.82 -54.18 48.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.13 110.971 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -74.93 -42.97 56.67 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.508 1.13 . . . . 73.33 110.964 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -65.74 -41.03 95.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.424 1.077 . . . . 62.15 111.116 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.446 ' HE2' ' HD2' ' A' 2042 ' ' ARG . 1.5 mm-40 -112.26 -166.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.609 0.829 . . . . 75.44 110.38 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.446 ' HD2' ' HE2' ' A' 2041 ' ' GLU . 0.0 OUTLIER -127.21 20.45 6.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.594 1.184 . . . . 72.04 110.302 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -115.29 99.29 7.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 64.11 109.282 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2044 ' ' VAL . . . . . . . . . . . . . 21.4 m -68.46 -12.59 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 75.34 109.373 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.42 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 75.04 109.382 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.483 ' HA3' ' CD2' ' A' 2037 ' ' LEU . . . -57.97 -54.34 38.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 72.12 110.987 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.513 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 6.1 tmm? -54.74 -40.73 69.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 73.23 111.089 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.577 ' CD2' ' HE2' ' A' 2089 ' ' MET . 11.9 m-85 -67.12 -39.28 86.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 75.51 111.037 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.567 ' O ' ' CD ' ' A' 2053 ' ' PRO . 72.4 mt-10 -76.56 -13.69 60.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.611 1.194 . . . . 74.42 110.247 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.555 ' C ' ' HD2' ' A' 2053 ' ' PRO . 25.1 t -84.15 -45.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 65.12 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.605 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.96 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 73.44 109.284 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.85 -56.28 0.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.138 . . . . 73.21 110.359 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.567 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.95 -51.09 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.466 1.772 . . . . 64.42 111.002 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.437 ' HB2' ' HA ' ' A' 2051 ' ' LEU . 46.0 mt -49.14 -56.38 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 75.34 109.388 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 57.4 m170 -58.55 -52.96 63.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.388 1.055 . . . . 74.32 109.67 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.79 -46.8 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 73.03 109.283 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.476 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.73 -40.19 59.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 74.44 110.847 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.54 ' HE1' ' CD2' ' A' 2023 ' ' TRP . 1.0 OUTLIER -70.09 -31.93 69.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.11 111.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' 2055 ' ' HIS . 1.4 mm-40 -72.05 -63.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 75.43 110.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.06 -19.39 60.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 72.04 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.97 80.96 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 61.04 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.15 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 72.35 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.474 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 5.2 tp60 -142.86 -74.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 72.25 110.363 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.449 HG21 ' CG ' ' A' 2063 ' ' GLN . 0.0 OUTLIER -164.35 163.61 22.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.12 110.373 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -27.7 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.4 109.328 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.08 64.17 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.063 . . . . 65.51 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.511 ' OE1' ' CD2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -78.74 -19.82 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 74.45 110.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' 2064 ' ' THR . 2.2 m -54.16 -27.17 31.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 74.12 110.391 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -35.99 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 62.2 110.01 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.401 ' CE2' ' HE2' ' A' 2074 ' ' TYR . 60.2 t80 -65.51 -53.23 45.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.13 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.524 ' O ' ' CA ' ' A' 2075 ' ' GLY . 49.2 t30 -64.17 -28.99 70.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 73.52 109.337 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -78.7 -51.96 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 65.43 110.317 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.91 -49.37 5.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.14 . . . . 75.31 109.323 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.601 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.6 m-85 -96.24 -14.4 22.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 73.02 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.07 -40.03 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.546 1.154 . . . . 75.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -79.06 -53.08 7.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 0.795 . . . . 75.04 110.272 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -51.6 -55.16 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 75.32 109.234 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 43.4 mt -52.36 -37.36 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 65.35 109.271 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -47.53 85.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.13 111.035 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.0 tt0 -62.41 -53.66 51.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 62.02 110.332 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.446 ' HB3' ' CB ' ' A' 2103 ' ' LEU . . . -53.43 -39.29 64.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.373 1.046 . . . . 70.2 109.301 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 74.21 110.352 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -39.66 93.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 75.22 110.329 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.9 m95 -71.02 -31.61 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 75.15 108.055 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 94.6 m -61.61 -51.11 69.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 75.2 108.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.84 98.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 74.34 110.363 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' 2092 ' ' GLY . 4.2 mtpp -52.06 -50.45 61.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 73.44 109.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.492 ' CZ ' HD22 ' A' 2097 ' ' LEU . 67.5 t80 -70.07 -44.49 69.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 52.43 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.577 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -58.55 -49.4 77.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 73.41 111.047 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -59.51 4.8 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.438 1.086 . . . . 70.34 109.202 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.03 61.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 62.31 110.061 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2087 ' ' LYS . . . -102.23 -139.87 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 72.11 111.054 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -148.17 158.87 44.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 71.13 109.394 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -40.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 74.32 109.333 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.0 tttm -49.35 -44.61 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 74.31 109.246 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.4 -36.07 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 72.03 109.35 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.492 HD22 ' CZ ' ' A' 2088 ' ' TYR . 1.5 tp -64.12 -48.62 75.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 74.54 109.25 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.5 m -61.05 -41.42 96.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 75.03 110.408 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -49.09 77.54 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.638 1.211 . . . . 75.14 110.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.46 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.44 109.371 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.441 ' NE1' ' HG3' ' A' 2047 ' ' MET . 0.0 OUTLIER -58.55 -40.05 81.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 73.23 107.986 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -51.04 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 73.11 109.22 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 5.2 mp -54.76 -54.05 47.12 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.146 . . . . 74.34 109.315 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.411 ' O ' HG21 ' A' 2107 ' ' VAL . 14.8 m-85 -55.18 -54.82 38.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 74.03 110.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.07 -36.99 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 75.5 111.118 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 73.14 109.582 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.601 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.0 OUTLIER -66.32 -44.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 72.22 109.275 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.745 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 13.0 m-85 -65.71 -29.74 70.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 75.02 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.0 ttt180 -75.9 -30.81 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 75.43 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2110 ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' 2112 ' ' SER . 0.1 OUTLIER -72.56 -51.62 19.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 70.15 110.308 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.535 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 14.9 pt -42.89 -27.96 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 74.44 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' 2114 ' ' GLN . 0.6 OUTLIER -93.85 -51.41 4.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 72.42 109.982 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 4.8 tptt -39.99 -30.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.494 1.121 . . . . 75.13 109.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2114 ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' 2112 ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.177 . . . . 75.22 110.307 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.586 0.231 . . . . 75.1 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.65 -25.72 13.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 54.31 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.9 -161.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 74.34 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' 2018 ' ' ARG . 1.6 mp -46.72 -86.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 75.25 109.34 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.449 ' N ' ' CG2' ' A' 2017 ' ' ILE . 0.2 OUTLIER -100.25 73.68 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 63.32 110.243 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' 2020 ' ' PRO . 0.9 OUTLIER -52.9 135.64 47.15 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 65.32 109.255 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 2019 ' ' VAL . 17.9 Cg_endo -74.98 -30.19 7.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.442 1.759 . . . . 60.32 110.992 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.466 ' O ' ' CD2' ' A' 2022 ' ' LEU . 0.0 OUTLIER -100.3 93.14 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 75.21 109.321 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -166.35 -159.98 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 73.22 109.296 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.573 ' CE3' ' SD ' ' A' 2058 ' ' MET . 10.6 m0 -66.64 -50.91 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.15 . . . . 73.44 107.942 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.29 -22.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 74.01 109.619 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' 2023 ' ' TRP . 3.2 tt0 -75.1 -35.13 61.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 75.22 110.207 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.524 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.99 -31.4 66.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 71.34 110.93 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.586 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 70.6 m95 -74.43 -51.36 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.014 -1.106 . . . . 73.3 108.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.1 t60 -54.33 -55.87 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 71.21 109.606 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.413 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 7.4 pt-20 -69.36 -37.18 77.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 74.24 110.306 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.43 ' CA ' HD23 ' A' 2054 ' ' LEU . . . -57.28 -65.14 3.78 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.101 . . . . 64.24 110.993 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.626 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 2.6 tp -60.47 -33.4 72.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 72.24 109.35 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' 2036 ' ' ARG . 6.8 mm-40 -53.05 -47.4 68.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.32 110.274 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.2 -51.09 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 63.12 110.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' 2037 ' ' LEU . . . -51.15 -45.57 61.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 54.13 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' 2038 ' ' TYR . 90.2 p -66.27 -48.65 69.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 75.23 110.001 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' 2032 ' ' GLU . 3.2 tpt180 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 75.03 110.322 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' 2038 ' ' TYR . 4.6 pp -70.93 -40.61 71.97 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.566 1.166 . . . . 74.0 109.285 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.577 ' CD1' HG11 ' A' 2044 ' ' VAL . 11.3 t80 -53.98 -56.18 20.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 75.33 111.066 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -73.34 -29.33 62.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.669 1.231 . . . . 74.32 111.036 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -47.18 -69.49 0.88 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.465 1.103 . . . . 62.3 111.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' 2042 ' ' ARG . 0.1 OUTLIER -136.68 53.14 1.92 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 0.805 . . . . 72.55 110.301 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' 2041 ' ' GLU . 6.7 tpt180 33.64 39.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 73.1 110.226 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.423 ' O ' HD13 ' A' 2037 ' ' LEU . 13.5 m-20 -106.66 87.52 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 72.42 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.577 HG11 ' CD1' ' A' 2038 ' ' TYR . 3.3 m -71.88 -11.42 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 70.43 109.218 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -50.27 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.22 109.357 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' 2037 ' ' LEU . . . -53.6 -50.07 55.03 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 74.22 111.044 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.508 ' HE3' ' CE1' ' A' 2048 ' ' PHE . 35.8 ttp -51.75 -56.86 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 0.718 . . . . 71.54 111.036 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.654 ' CD2' ' CE ' ' A' 2089 ' ' MET . 17.2 m-85 -49.29 -41.66 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.24 111.052 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.533 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.8 mt-10 -76.94 -15.85 59.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 71.55 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.592 ' C ' ' HD2' ' A' 2053 ' ' PRO . 5.1 t -85.6 -43.9 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.414 1.071 . . . . 75.55 109.274 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -76.97 -44.26 31.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 75.52 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -36.82 -54.67 1.69 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.348 1.03 . . . . 71.05 110.286 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.592 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.06 -51.92 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.432 1.753 . . . . 70.24 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.454 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -47.93 -55.57 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 74.21 109.159 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.542 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 59.9 m170 -60.97 -53.29 59.11 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 73.53 109.545 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.66 -51.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 73.31 109.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.48 -38.47 44.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.11 111.026 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.573 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -67.7 -32.42 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 73.22 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.9 mm-40 -77.52 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 70.54 110.325 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -70.35 -18.55 63.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.41 110.274 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.73 77.84 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 42.13 111.087 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 70.13 110.941 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.445 ' OE1' ' NE1' ' A' 2023 ' ' TRP . 0.0 OUTLIER -143.62 -64.55 0.38 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.521 1.138 . . . . 75.43 110.348 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' 2065 ' ' LEU . 3.7 t -178.0 175.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 72.51 110.423 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.404 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -55.03 -29.27 57.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 73.41 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 12.5 mttp -66.98 -39.98 87.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 74.42 109.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.492 ' CD ' ' CH2' ' A' 2023 ' ' TRP . 1.4 tm-20 -82.98 -20.64 34.76 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 74.01 110.267 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' 2072 ' ' GLN . 12.0 m -54.44 -28.62 45.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 72.0 110.485 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -37.05 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 70.21 110.095 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.43 ' CZ ' HG21 ' A' 2111 ' ' ILE . 9.7 t80 -64.79 -50.42 66.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 75.03 111.024 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 58.3 t30 -65.16 -29.04 69.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 72.11 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2072 ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' 2068 ' ' THR . 22.8 mt-30 -78.42 -54.0 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 61.23 110.232 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.98 -48.98 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 73.51 109.187 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.57 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 15.1 m-85 -94.25 -15.64 24.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 74.52 111.085 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.67 -49.66 1.88 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 74.41 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -48.08 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 0.836 . . . . 65.31 110.288 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.52 -58.69 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 63.43 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 55.5 mt -52.57 -42.29 64.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.33 109.26 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.9 mtp -56.04 -44.47 78.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.465 1.103 . . . . 72.13 110.969 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.0 tt0 -66.41 -57.09 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 53.44 110.224 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.432 ' HB2' ' CE1' ' A' 2104 ' ' TYR . . . -52.36 -41.66 63.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.34 109.264 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2082 ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' 2085 ' ' CYS . 2.5 tp60 -59.7 -43.38 94.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.11 110.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.14 79.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 72.34 110.269 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.1 m95 -70.43 -33.4 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.927 -1.138 . . . . 72.14 107.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.539 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 6.6 t -61.12 -48.08 83.27 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 74.34 108.344 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -61.81 -43.59 98.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 73.1 110.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.17 -43.77 67.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 53.12 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' 2097 ' ' LEU . 5.7 t80 -72.72 -53.04 12.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 70.43 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.654 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.4 OUTLIER -46.48 -29.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 74.22 111.027 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -56.15 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 61.22 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -160.96 55.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 72.1 110.031 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 55.29 163.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 73.03 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2093 ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' 2092 ' ' GLY . 1.4 m-20 162.14 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 74.41 109.291 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -48.94 -36.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 63.51 109.215 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 7.3 tttt -53.53 -50.87 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 70.01 109.288 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.87 -39.62 76.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 64.11 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' 2088 ' ' TYR . 0.5 OUTLIER -59.31 -48.49 81.43 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.417 1.073 . . . . 64.11 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.6 m -60.86 -42.51 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 74.35 110.338 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2099 ' ' GLN . . . . . 0.446 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.1 OUTLIER -63.69 -46.06 87.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 73.44 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.02 73.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 72.54 109.331 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.491 ' NE1' ' SD ' ' A' 2047 ' ' MET . 2.5 m95 -56.33 -36.8 69.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.001 -1.111 . . . . 75.55 108.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.6 -50.75 70.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 5.8 mp -54.53 -53.32 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 74.11 109.283 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' A' 2081 ' ' ALA . 11.9 m-85 -54.1 -56.65 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 74.43 110.978 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.48 -37.65 17.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 62.52 110.98 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2106 ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.4 OUTLIER -62.56 -44.31 96.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 75.23 109.619 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -77.78 -38.86 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 74.14 109.247 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.626 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 8.9 m-85 -68.71 -33.14 73.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 73.25 110.937 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' 2105 ' ' TYR . 8.7 ptm180 -80.04 -33.67 38.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.659 1.224 . . . . 75.51 110.261 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2110 ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -64.44 -51.38 63.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.533 1.145 . . . . 73.23 110.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.586 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 10.2 pt -44.27 -28.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 75.22 109.247 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 28.8 t -95.21 -55.48 3.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.071 . . . . 71.32 109.964 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -40.9 148.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 73.34 109.305 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.583 1.177 . . . . 64.33 110.233 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.523 0.202 . . . . 74.51 111.027 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -15.55 19.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 73.41 110.289 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 1.5 mm? 60.97 118.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.181 . . . . 74.21 109.316 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 1.7 tt -56.25 175.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 70.15 109.343 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' 2112 ' ' SER . 5.1 mtm180 -147.18 172.91 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 75.43 110.29 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 6.8 t -95.14 133.6 25.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 71.12 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' A' 2025 ' ' GLU . 18.1 Cg_endo -75.04 -26.9 10.41 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.428 1.752 . . . . 72.04 110.968 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.556 ' O ' ' CD2' ' A' 2022 ' ' LEU . 0.1 OUTLIER -115.46 95.92 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 74.12 109.252 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.556 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER 179.77 -170.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 72.1 109.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.591 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -77.17 -51.83 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 72.24 107.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.0 m80 -47.26 -22.47 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 74.33 109.586 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' 2023 ' ' TRP . 31.5 tp10 -73.12 -35.36 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.34 110.335 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.523 ' HG3' ' CD1' ' A' 2027 ' ' TRP . 0.2 OUTLIER -72.79 -31.72 65.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 75.24 110.978 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.557 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 68.7 m95 -72.9 -50.21 25.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.043 -1.095 . . . . 72.41 108.043 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' 2032 ' ' GLU . 1.9 t60 -54.5 -58.99 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 72.22 109.616 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -69.27 -30.58 68.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.59 1.181 . . . . 71.5 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' 2026 ' ' MET . . . -62.39 -63.57 4.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 73.22 110.974 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.585 HD23 ' CD2' ' A' 2108 ' ' PHE . 3.9 tp -60.51 -33.65 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 72.22 109.36 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' 2028 ' ' HIS . 4.2 mm-40 -54.34 -53.89 47.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.13 110.265 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.26 -50.42 47.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 70.24 110.36 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.07 -48.39 67.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 63.31 109.326 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 33.6 t -57.28 -47.39 81.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 75.41 110.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.1 OUTLIER -54.44 -37.37 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 74.21 110.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' 2034 ' ' ALA . 1.8 mt -69.96 -35.79 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 73.02 109.367 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' 2041 ' ' GLU . 65.5 t80 -76.93 -54.43 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 74.21 110.996 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -72.27 -46.6 55.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 72.53 111.067 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -56.91 -55.63 29.17 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.523 1.139 . . . . 74.13 110.999 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' 2038 ' ' TYR . 8.5 pm0 -136.61 -175.14 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 0.732 . . . . 63.52 110.33 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.58 36.78 1.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.43 1.081 . . . . 74.14 110.362 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -96.29 79.45 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 73.14 109.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.72 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 13.6 t -64.74 -10.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 73.12 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -71.35 -39.68 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 73.24 109.272 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -58.58 -57.41 20.01 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.51 1.132 . . . . 72.24 111.042 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.542 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.51 -43.31 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 74.02 110.993 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.72 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 1.7 m-85 -69.52 -37.43 77.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.538 1.149 . . . . 75.44 110.999 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 81.4 mt-10 -75.42 -13.54 60.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 74.55 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.571 ' C ' ' HD2' ' A' 2053 ' ' PRO . 24.5 t -84.95 -44.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 74.15 109.274 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.616 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -45.13 32.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 74.21 109.181 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.7 mt-10 -35.78 -55.62 1.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 65.23 110.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.571 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.96 -50.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.4 1.737 . . . . 74.44 110.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.473 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -48.05 -55.25 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 75.24 109.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 47.1 m170 -60.67 -51.88 67.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.42 109.624 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.41 -51.51 58.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 72.51 109.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.92 -37.65 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 73.0 110.996 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.591 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -68.1 -32.78 73.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 74.32 110.998 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.49 -63.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 74.33 110.339 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' 2056 ' ' ALA . 2.6 ptm85 -72.54 -12.33 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 74.32 110.27 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -124.96 71.04 0.46 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 53.3 110.949 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.01 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.83 . . . . 65.52 110.972 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.434 ' C ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -144.54 -84.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.53 110.322 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.434 ' CG2' ' C ' ' A' 2063 ' ' GLN . 43.7 p -152.25 -169.18 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 75.2 110.394 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -30.76 6.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 75.35 109.152 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -53.27 57.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 74.55 109.322 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.467 ' CG ' ' CH2' ' A' 2023 ' ' TRP . 3.4 tm-20 -58.71 -34.99 71.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 74.35 110.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.01 -39.8 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 73.3 110.422 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -39.4 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 62.34 109.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.83 -53.4 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 74.41 111.046 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.545 ' O ' ' CA ' ' A' 2075 ' ' GLY . 31.0 t30 -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 75.34 109.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -78.81 -51.22 10.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 73.2 110.26 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.03 -51.54 5.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 64.24 109.237 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.585 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 21.8 m-85 -95.48 -13.42 24.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.6 1.187 . . . . 73.14 110.938 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.545 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.56 -43.71 3.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 54.32 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -46.21 26.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.507 0.769 . . . . 73.13 110.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.91 -59.14 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 72.25 109.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.408 HD12 ' CD2' ' A' 2055 ' ' HIS . 9.7 mt -51.91 -39.79 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 73.0 109.287 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 9.4 mmm -57.47 -46.56 83.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 75.13 111.028 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.7 tt0 -65.36 -58.5 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.4 110.355 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.424 ' N ' HD22 ' A' 2103 ' ' LEU . . . -52.9 -41.99 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 72.5 109.298 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.35 84.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.409 1.068 . . . . 63.21 110.296 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -37.48 87.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.129 . . . . 71.3 110.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.572 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 90.9 m95 -65.02 -35.5 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 74.23 108.076 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.0 t -63.51 -57.07 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 75.42 108.262 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -33.54 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 75.22 110.247 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.572 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -71.15 -32.39 68.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 71.13 109.36 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 54.9 t80 -79.19 -43.47 23.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 71.12 110.982 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.65 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.6 mtt -65.0 -36.52 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 75.44 110.999 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -58.79 3.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 70.32 109.279 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.37 66.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 75.21 110.059 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.96 15.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 74.31 111.041 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.16 161.81 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 64.34 109.336 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2094 ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' 2095 ' ' LYS . 0.3 OUTLIER -48.39 -43.13 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.625 1.203 . . . . 75.15 109.363 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2095 ' ' LYS . . . . . 0.4 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.9 OUTLIER -49.27 -46.36 46.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 73.32 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' 2096 ' ' ASP . 0.5 OUTLIER -66.26 -42.89 87.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 64.33 109.302 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.576 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 8.0 tp -60.39 -44.87 95.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 72.43 109.276 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 95.7 m -59.62 -44.13 93.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 72.42 110.453 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.7 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 73.05 110.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.38 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 74.41 109.268 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -32.09 73.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.983 -1.117 . . . . 73.53 107.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -47.67 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 73.43 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.6 mp -54.6 -53.07 59.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 73.22 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.437 ' O ' HG22 ' A' 2107 ' ' VAL . 13.1 m-85 -54.47 -55.06 32.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 75.13 110.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.498 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.8 -37.63 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 75.35 111.001 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -51.41 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.353 1.033 . . . . 65.41 109.64 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.585 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -67.71 -48.77 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 74.43 109.263 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.585 ' CD2' HD23 ' A' 2031 ' ' LEU . 13.5 m-85 -61.47 -30.31 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 72.11 110.969 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' 2105 ' ' TYR . 6.1 ttt180 -77.12 -33.41 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 74.33 110.305 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -66.25 -52.28 49.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 75.41 110.338 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.557 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 11.2 pt -44.35 -38.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 71.11 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' 2018 ' ' ARG . 18.5 p -79.98 -50.59 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 75.13 110.034 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 131.21 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 74.41 109.341 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 74.44 110.299 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.538 0.208 . . . . 74.53 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -17.37 63.46 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.413 1.071 . . . . 55.4 110.361 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' 2017 ' ' ILE . 0.0 OUTLIER 64.34 12.56 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 72.31 109.232 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' 2016 ' ' LEU . 5.0 mp 62.09 138.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.549 1.155 . . . . 75.31 109.211 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 10.7 tpt85 -100.04 113.66 26.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.618 1.199 . . . . 65.55 110.374 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.43 136.11 27.43 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 73.12 109.22 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -22.96 14.36 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.78 . . . . 71.02 111.0 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.474 ' O ' ' CD2' ' A' 2022 ' ' LEU . 0.0 OUTLIER -110.8 98.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 75.2 109.229 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -179.72 -158.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.613 1.196 . . . . 74.43 109.337 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.614 ' CG ' ' CE ' ' A' 2058 ' ' MET . 11.5 m0 -63.93 -52.32 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 75.21 107.964 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.7 m80 -45.76 -26.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 74.4 109.643 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2025 ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -71.06 -35.01 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 71.51 110.19 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.56 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.29 -30.87 66.79 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.618 1.199 . . . . 72.5 111.008 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.56 ' N ' ' HG3' ' A' 2026 ' ' MET . 64.3 m95 -72.82 -51.12 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 75.34 108.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -53.12 -58.8 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 75.04 109.552 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 73.42 110.266 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -58.87 -63.65 5.01 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 64.2 111.003 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.618 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 4.2 tp -58.98 -33.16 70.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.807 . . . . 72.51 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -53.68 48.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 64.22 110.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.401 ' O ' HD11 ' A' 2037 ' ' LEU . 4.7 tt0 -68.64 -50.94 47.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.4 110.348 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -51.55 -49.13 62.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 74.45 109.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 14.6 p -61.44 -38.16 86.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 74.21 109.982 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.1 OUTLIER -60.63 -35.15 75.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.16 . . . . 73.34 110.251 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.492 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 1.4 mt -70.57 -47.51 59.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 73.53 109.285 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 47.9 t80 -58.86 -55.55 33.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 75.4 111.076 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.79 -45.49 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 75.43 111.036 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -52.54 -64.87 3.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.56 1.163 . . . . 53.44 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.51 -162.89 1.23 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.43 0.723 . . . . 74.4 110.371 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.454 ' HD3' ' C ' ' A' 2042 ' ' ARG . 0.0 OUTLIER -108.89 29.76 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 75.22 110.272 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.457 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 15.0 m-20 -102.48 83.53 2.31 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.563 1.165 . . . . 71.21 109.287 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.588 HG11 ' CD2' ' A' 2048 ' ' PHE . 40.7 t -63.55 -19.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 73.45 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.457 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.92 -35.73 34.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 61.25 109.352 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.561 ' O ' ' HG3' ' A' 2049 ' ' GLU . . . -59.01 -49.46 78.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.476 1.11 . . . . 75.14 110.967 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.573 ' HE1' ' CE1' ' A' 2048 ' ' PHE . 10.3 tmm? -62.87 -41.75 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.13 111.019 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.602 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 9.9 m-85 -72.95 -39.34 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 63.15 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -75.57 -14.2 60.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 74.4 110.449 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.579 ' C ' ' HD2' ' A' 2053 ' ' PRO . 5.4 t -85.05 -43.49 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 74.22 109.257 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.58 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.64 -46.95 23.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.32 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.3 mm-40 -34.53 -54.65 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 70.11 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.05 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 75.2 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.41 -55.88 9.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.415 1.072 . . . . 74.43 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 61.4 m170 -60.43 -53.09 61.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 73.03 109.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.37 -51.38 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 54.1 109.375 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.534 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.77 -39.06 51.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 74.21 110.957 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.614 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 1.3 mmt -67.4 -31.93 72.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 65.43 111.018 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.1 mm-40 -77.43 -64.74 1.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.446 1.091 . . . . 64.23 110.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' 2056 ' ' ALA . 10.0 ptm180 -70.08 -21.4 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.14 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.534 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.8 0.3 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 73.31 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.361 1.716 . . . . 75.2 110.909 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.495 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.8 OUTLIER -143.49 -78.12 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 64.41 110.338 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' 2063 ' ' GLN . 17.0 p -157.63 -176.4 5.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.501 1.125 . . . . 74.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -27.88 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 72.41 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.2 mptt -71.65 -42.96 66.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 75.14 109.388 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.425 ' OE1' ' CG ' ' A' 2063 ' ' GLN . 0.2 OUTLIER -74.77 -19.8 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 74.33 110.312 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -61.42 -38.68 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 72.21 110.447 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 13.6 m -73.84 -29.93 62.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 74.13 110.073 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.448 ' O ' ' CD2' ' A' 2074 ' ' TYR . 5.4 t80 -68.72 -53.33 22.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 74.2 111.018 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.08 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 72.11 109.365 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -78.02 -43.41 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 74.03 110.32 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.06 14.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.21 109.287 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.567 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.1 m-85 -88.37 -23.46 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.2 110.927 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -36.31 -35.25 0.1 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.534 1.146 . . . . 74.33 110.932 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2076 ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.26 -56.67 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 72.21 110.309 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.32 -55.8 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 73.43 109.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 17.9 mt -52.46 -37.25 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 74.12 109.316 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -47.32 86.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 62.14 111.041 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.47 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 2.8 tt0 -63.33 -59.92 4.07 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.63 1.207 . . . . 73.3 110.379 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.429 ' HB3' ' CB ' ' A' 2103 ' ' LEU . . . -52.62 -41.61 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 63.5 109.259 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -43.36 82.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.494 1.121 . . . . 64.15 110.366 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -38.47 90.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 71.5 110.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.7 m95 -65.27 -33.64 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 71.15 108.012 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 6.6 t -65.49 -58.2 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 63.35 108.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -40.86 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 61.33 110.307 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.31 87.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 75.11 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.568 ' CE2' HD11 ' A' 2097 ' ' LEU . 3.1 t80 -74.4 -52.18 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 75.22 111.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.574 ' HE1' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -54.04 -31.74 52.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 64.24 110.938 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -71.72 -58.37 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.04 109.315 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.59 66.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 64.04 110.137 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -113.6 -139.4 7.27 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.434 1.084 . . . . 74.22 110.965 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.45 164.25 38.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 73.34 109.35 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -34.39 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 72.22 109.327 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.34 -49.11 45.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 75.44 109.346 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.08 -35.3 76.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 63.24 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' 2088 ' ' TYR . 0.9 OUTLIER -64.18 -45.35 88.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 74.25 109.315 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 52.6 m -61.83 -45.14 95.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 70.44 110.372 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2099 ' ' GLN . . . . . 0.448 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.2 OUTLIER -56.26 -46.09 79.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 74.22 110.316 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.79 95.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.44 109.331 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.1 m95 -65.12 -32.68 74.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 74.34 107.998 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -50.67 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 72.34 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.5 mp -54.41 -52.9 60.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 71.43 109.342 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.445 ' O ' HG22 ' A' 2107 ' ' VAL . 13.4 m-85 -53.79 -56.01 21.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 74.41 110.956 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.71 -36.7 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 71.52 111.042 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2106 ' ' HIS . . . . . 0.426 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.9 OUTLIER -63.39 -45.36 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 71.43 109.616 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.567 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -76.17 -37.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 74.33 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.618 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 7.3 m-85 -69.46 -33.61 73.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 75.05 111.072 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -81.72 -28.54 33.36 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.474 1.109 . . . . 65.32 110.274 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2110 ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' 2106 ' ' HIS . 0.3 OUTLIER -69.38 -52.44 27.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 75.21 110.311 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.52 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 3.3 pt -42.42 -33.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.3 109.262 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' 2113 ' ' LYS . 81.5 p -84.83 -56.91 3.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 74.42 110.007 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2113 ' ' LYS . . . . . 0.444 ' HZ1' ' NH2' ' A' 2109 ' ' ARG . 0.0 OUTLIER -39.91 123.77 1.66 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.511 1.132 . . . . 74.51 109.203 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 73.42 110.252 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.415 0.15 . . . . 71.43 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.27 -15.04 63.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 72.4 110.32 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' 2017 ' ' ILE . 0.3 OUTLIER 67.42 72.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 72.42 109.307 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' 2016 ' ' LEU . 4.4 mp -39.71 133.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 75.33 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -110.26 97.49 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 74.23 110.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.511 HG13 ' CD1' ' A' 2022 ' ' LEU . 0.2 OUTLIER -40.69 132.19 1.77 Allowed Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.487 1.117 . . . . 74.0 109.265 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' 2021 ' ' ILE . 18.7 Cg_endo -74.91 -23.31 14.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.386 1.73 . . . . 74.32 111.065 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.458 ' CD1' ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -117.63 90.7 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 74.31 109.277 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.511 ' CD1' HG13 ' A' 2019 ' ' VAL . 0.6 OUTLIER 179.12 149.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.153 . . . . 71.4 109.351 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' 2067 ' ' GLU . 5.0 m0 -48.78 -49.68 37.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.53 108.132 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m170 -47.18 -22.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.14 109.576 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.1 tt0 -72.99 -36.02 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 62.11 110.236 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.511 ' HG2' ' CE ' ' A' 2058 ' ' MET . 0.0 OUTLIER -72.76 -32.67 65.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.384 1.052 . . . . 74.31 110.918 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.618 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 69.3 m95 -71.82 -51.62 21.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 73.44 108.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.5 OUTLIER -53.49 -59.6 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 74.04 109.595 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.442 ' N ' ' CD2' ' A' 2028 ' ' HIS . 9.0 pt-20 -67.46 -33.94 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.01 110.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' 2026 ' ' MET . . . -59.69 -64.17 4.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 64.33 110.947 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.603 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 3.4 tp -60.28 -30.53 69.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 72.53 109.31 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.72 -53.27 57.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.35 110.352 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.88 -50.13 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 72.31 110.33 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.483 ' HB3' ' CB ' ' A' 2047 ' ' MET . . . -55.92 -48.52 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.48 1.113 . . . . 75.14 109.415 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' 2031 ' ' LEU . 83.6 p -56.82 -43.88 81.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 71.13 110.052 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.2 OUTLIER -61.75 -34.16 75.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 71.2 110.281 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.416 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 3.1 mt -69.78 -33.48 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 75.41 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 68.7 t80 -83.65 -54.5 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 73.04 110.954 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -72.94 -47.62 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 75.5 110.896 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -64.24 -59.03 8.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 72.02 111.022 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -117.15 -178.94 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 72.31 110.338 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.18 32.17 5.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.571 1.169 . . . . 73.12 110.338 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -110.04 77.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 73.41 109.382 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.575 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 35.6 t -53.24 -20.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 73.23 109.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.89 -37.12 41.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 74.21 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.416 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -54.26 -55.2 27.68 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.539 1.149 . . . . 64.42 111.011 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.5 ' CE ' HG11 ' A' 2044 ' ' VAL . 9.0 tmm? -57.7 -55.07 39.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 62.44 111.068 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.575 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 10.3 m-85 -50.06 -43.68 51.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 73.5 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.8 OUTLIER -76.01 -15.4 60.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 70.51 110.344 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.591 ' C ' ' HD2' ' A' 2053 ' ' PRO . 12.1 t -85.87 -44.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.142 . . . . 74.21 109.357 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.27 -41.8 39.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 60.31 109.204 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.7 OUTLIER -38.79 -54.69 3.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 74.45 110.223 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.591 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.01 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 63.41 110.939 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.01 -54.92 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 63.14 109.331 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.436 ' O ' ' HG2' ' A' 2059 ' ' GLU . 61.8 m170 -60.37 -52.95 63.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 73.01 109.66 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.02 -51.8 54.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 71.15 109.3 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.58 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.58 -35.84 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 71.25 110.973 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.548 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.4 mmt -70.58 -31.89 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.193 . . . . 65.41 110.984 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.9 mm-40 -77.63 -64.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 74.03 110.316 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.5 -24.52 61.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.23 110.347 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.58 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.99 81.67 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 75.51 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 65.1 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.498 ' O ' ' CG2' ' A' 2064 ' ' THR . 9.0 tt0 -133.75 -62.67 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 74.42 110.163 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' 2063 ' ' GLN . 5.0 p -158.83 -169.44 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 73.42 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' A' 2068 ' ' THR . 0.5 OUTLIER -69.83 -27.3 64.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 75.24 109.252 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -75.03 -32.45 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 74.45 109.249 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.58 ' HG3' ' CH2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -46.19 -25.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 75.35 110.34 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' 2072 ' ' GLN . 35.8 p -55.13 -48.44 73.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 61.4 110.409 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.0 t -53.55 -42.59 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 54.45 109.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.406 ' CE2' ' HE2' ' A' 2074 ' ' TYR . 22.4 t80 -72.86 -53.96 10.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.385 1.053 . . . . 75.44 110.905 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.526 ' O ' ' CA ' ' A' 2075 ' ' GLY . 16.8 t-20 -59.35 -31.89 69.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 74.32 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2072 ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' 2068 ' ' THR . 2.7 mt-30 -80.91 -51.59 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.637 1.211 . . . . 71.41 110.382 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.47 -43.75 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 64.15 109.227 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.7 m-85 -102.88 -15.68 16.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 64.51 110.93 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.83 -53.08 2.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 64.25 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.14 -39.27 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 75.14 110.196 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.43 -61.28 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.34 109.304 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.1 -38.1 56.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 65.01 109.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 12.6 mmm -58.07 -47.94 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 71.41 111.04 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -62.91 -59.35 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 75.01 110.227 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.488 ' CB ' HD11 ' A' 2103 ' ' LEU . . . -53.13 -41.61 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 74.31 109.317 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -55.31 -44.15 75.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.52 110.273 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.43 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.12 -36.59 84.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 73.45 110.276 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.2 m95 -71.14 -32.58 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.016 -1.105 . . . . 73.44 108.016 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.524 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 11.1 t -61.07 -49.56 76.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 74.32 108.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 74.55 110.328 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.43 ' CE ' ' HG3' ' A' 2083 ' ' GLU . 10.1 mttt -49.7 -48.86 49.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 73.24 109.275 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' 2092 ' ' GLY . 7.5 t80 -69.94 -52.52 23.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 72.54 111.075 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.539 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -46.18 -25.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 75.24 111.008 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -41.66 88.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 74.32 109.249 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.77 -47.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 73.34 110.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 130.77 88.77 0.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 73.21 110.89 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2093 ' ' ASN . . . . . 0.477 ' N ' ' CD2' ' A' 2088 ' ' TYR . 2.3 m-20 -110.83 96.43 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 73.2 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 t -46.09 -44.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 73.41 109.325 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -46.89 69.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 70.3 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -69.04 -49.88 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 74.04 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.533 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 21.7 tp -53.9 -44.78 70.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 74.12 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 5.9 m -59.69 -48.4 81.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 73.04 110.462 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -40.42 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 75.02 110.289 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2100 ' ' ALA . . . . . 0.581 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -67.57 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 75.52 109.397 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.5 m95 -72.53 -29.75 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 75.53 107.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.8 -50.89 30.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 73.41 109.294 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' 2081 ' ' ALA . 3.7 mt -55.8 -51.13 68.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.24 109.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' 2100 ' ' ALA . 12.9 m-85 -53.17 -56.03 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 71.22 110.953 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.19 -38.68 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 74.43 111.064 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -50.48 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 73.23 109.594 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -70.82 -49.27 51.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 72.43 109.365 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.603 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 12.7 m-85 -59.64 -31.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 71.44 110.952 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.9 OUTLIER -78.29 -35.58 47.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.43 110.271 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -50.8 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 75.25 110.361 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.618 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -47.83 -35.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 75.43 109.368 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' 2109 ' ' ARG . 1.8 p -80.71 -43.73 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 63.31 109.956 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.44 131.56 13.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 71.44 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 73.14 110.24 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.456 0.169 . . . . 74.53 110.99 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -117.28 -14.1 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 74.1 110.306 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 78.38 170.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 74.35 109.266 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.557 ' CG2' ' N ' ' A' 2018 ' ' ARG . 1.5 mp 65.07 -93.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 75.14 109.35 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.557 ' N ' ' CG2' ' A' 2017 ' ' ILE . 0.0 OUTLIER -58.52 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 75.24 110.299 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.496 ' CG1' ' HB2' ' A' 2022 ' ' LEU . 70.7 t -85.17 143.03 38.87 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 73.44 109.334 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' 2019 ' ' VAL . 18.2 Cg_endo -75.05 -64.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.538 1.81 . . . . 74.44 111.073 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.95 57.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.53 109.305 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.496 ' HB2' ' CG1' ' A' 2019 ' ' VAL . 1.5 tp -138.53 148.68 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 74.34 109.284 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.566 ' CE3' ' SD ' ' A' 2058 ' ' MET . 7.5 m0 -78.13 -48.22 16.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.005 -1.109 . . . . 73.34 108.005 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' 2028 ' ' HIS . 2.9 m80 -47.47 -22.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 74.22 109.602 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -70.43 -37.02 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 75.24 110.345 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.504 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -75.11 -31.62 61.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 75.01 110.979 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.565 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 69.2 m95 -71.56 -51.06 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 75.11 108.078 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' 2032 ' ' GLU . 13.7 m170 -56.07 -51.57 67.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 71.53 109.567 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.3 mm-40 -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 65.24 110.292 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.477 ' CA ' HD23 ' A' 2054 ' ' LEU . . . -60.31 -65.23 3.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 72.41 110.958 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.616 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 0.9 OUTLIER -61.27 -31.79 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 0.714 . . . . 72.31 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' 2028 ' ' HIS . 7.8 mt-10 -54.23 -49.89 68.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 74.24 110.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.73 -51.05 11.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 74.11 110.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.46 ' HB2' ' CG ' ' A' 2047 ' ' MET . . . -52.29 -43.42 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 72.45 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' 2031 ' ' LEU . 27.2 p -73.54 -49.77 24.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 55.21 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -48.0 49.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 74.51 110.362 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' 2038 ' ' TYR . 4.0 pp -70.47 -46.52 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 72.04 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' 2037 ' ' LEU . 68.3 t80 -53.95 -53.37 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.358 1.036 . . . . 74.54 110.945 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -73.43 -45.59 53.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 74.45 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -60.04 -34.99 85.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.098 . . . . 64.32 110.97 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' 2037 ' ' LEU . 6.7 tp10 -149.33 142.47 24.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 74.55 110.351 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.7 57.44 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 75.1 110.286 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.3 m120 -128.3 72.65 1.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 73.52 109.299 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.604 HG13 ' CE2' ' A' 2048 ' ' PHE . 53.3 t -57.04 -20.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 73.31 109.367 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -49.91 -42.12 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 63.32 109.286 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.405 ' C ' HD21 ' A' 2037 ' ' LEU . . . -54.12 -54.11 33.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 74.01 110.953 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.481 ' SD ' ' N ' ' A' 2048 ' ' PHE . 12.2 tmm? -52.59 -55.12 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.801 . . . . 62.1 110.971 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.653 ' CD2' ' CE ' ' A' 2089 ' ' MET . 8.4 m-85 -51.48 -39.33 57.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 73.43 111.019 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.1 mt-10 -76.86 -16.17 59.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 63.43 110.356 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.595 ' C ' ' HD2' ' A' 2053 ' ' PRO . 4.4 t -87.01 -43.54 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.24 109.258 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.586 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.73 -39.53 44.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 75.14 109.324 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.543 ' HB2' ' O ' ' A' 2048 ' ' PHE . 1.1 mm-40 -40.83 -54.57 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.32 110.378 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.595 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.9 Cg_endo -75.03 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.434 1.755 . . . . 71.41 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.76 -53.93 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 73.25 109.282 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 51.7 m170 -60.87 -52.74 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 72.23 109.617 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.51 -51.31 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.637 1.211 . . . . 75.34 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.21 -37.42 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.4 111.032 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.566 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.1 mmt -69.13 -32.01 71.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 74.35 111.007 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.22 -63.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.15 110.352 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' 2056 ' ' ALA . 8.5 ptm180 -71.59 -20.71 61.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 64.34 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.19 80.49 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 75.3 110.971 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 74.22 110.996 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.437 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 10.6 tt0 -143.36 -75.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 75.24 110.374 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 1.2 t -163.89 165.5 22.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 74.31 110.425 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 3.1 mt -54.46 -27.85 40.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 74.01 109.361 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 5.6 tttm -71.24 -35.79 71.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.15 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 0.0 OUTLIER -85.79 -19.02 31.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 74.42 110.334 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.1 m -54.26 -26.45 29.04 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.471 1.107 . . . . 75.52 110.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -38.36 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 72.44 109.979 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' 2111 ' ' ILE . 4.5 t80 -63.85 -47.56 80.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.382 1.051 . . . . 74.3 110.963 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.509 ' O ' ' CA ' ' A' 2075 ' ' GLY . 6.7 t30 -69.52 -28.47 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 71.53 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -54.1 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.24 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.44 -52.14 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 74.11 109.247 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.3 m-85 -91.55 -15.31 28.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 71.44 111.081 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.1 -43.88 1.94 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 63.11 111.012 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -50.52 12.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 0.803 . . . . 63.14 110.362 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.79 -54.94 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.11 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 52.6 mt -52.48 -38.16 58.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 74.32 109.346 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.469 1.105 . . . . 75.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.487 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 31.5 tt0 -62.64 -54.33 41.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.634 1.209 . . . . 73.24 110.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.56 -39.34 64.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.436 1.085 . . . . 63.12 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -39.71 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 72.44 110.266 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -39.0 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 72.25 110.278 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.408 ' O ' ' OD1' ' A' 2096 ' ' ASP . 99.8 m95 -68.61 -34.54 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 72.32 108.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.617 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -58.25 -56.41 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 72.24 108.329 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -37.66 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 63.24 110.35 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.773 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 1.8 mtpp -56.56 -48.89 76.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 73.11 109.272 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.564 ' CE2' HD21 ' A' 2097 ' ' LEU . 0.6 OUTLIER -70.67 -45.67 64.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 64.12 111.008 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.653 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -56.44 -30.57 63.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 75.11 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.91 -57.3 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.13 109.32 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 23.1 t -69.83 -63.02 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 65.25 110.003 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.9 84.17 1.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 74.32 110.969 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.68 125.26 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 63.53 109.349 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 p -61.68 -38.81 81.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 63.32 109.212 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.2 tttt -49.5 -51.72 34.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.517 1.136 . . . . 71.11 109.23 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.773 ' HD2' ' HB2' ' A' 2087 ' ' LYS . 0.6 OUTLIER -64.98 -42.8 94.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 70.15 109.325 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' 2088 ' ' TYR . 2.5 tp -58.18 -46.79 85.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 72.01 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 21.0 m -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 75.42 110.455 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -48.09 75.59 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.509 1.13 . . . . 74.55 110.265 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.36 -47.04 87.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 72.21 109.34 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.453 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.1 m95 -58.19 -31.0 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.955 -1.128 . . . . 64.45 107.955 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.04 -49.69 66.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 65.44 109.298 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.3 mp -54.41 -52.91 60.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.54 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.438 ' O ' HG21 ' A' 2107 ' ' VAL . 11.1 m-85 -53.87 -55.87 22.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 75.14 111.084 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.81 -36.94 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 75.32 110.963 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -50.71 70.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 75.13 109.537 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -70.48 -49.37 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 72.32 109.303 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.616 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 15.0 m-85 -59.77 -29.86 68.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 75.02 111.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.8 OUTLIER -76.84 -39.78 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.172 . . . . 72.13 110.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -51.33 69.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 73.23 110.296 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.514 ' CG1' ' O ' ' A' 2108 ' ' PHE . 19.0 pt -46.22 -39.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.36 1.037 . . . . 72.45 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 16.0 p -81.93 -53.82 5.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 71.34 110.009 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.19 113.42 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 75.4 109.344 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 23.3 pt20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.34 110.229 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.445 0.164 . . . . 74.21 110.969 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -112.52 -12.69 13.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 71.3 110.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 1.7 mp 53.97 48.93 20.07 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.491 1.119 . . . . 71.13 109.342 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 15.0 mt -121.53 139.57 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 73.33 109.27 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.51 ' CD ' ' C ' ' A' 2114 ' ' GLN . 0.0 OUTLIER -125.63 71.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 72.25 110.323 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.463 ' CG2' ' HD2' ' A' 2020 ' ' PRO . 2.5 p -40.43 142.9 0.71 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.06 . . . . 71.34 109.243 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' 2022 ' ' LEU . 18.5 Cg_endo -74.83 -82.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.406 1.74 . . . . 54.21 111.062 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.409 ' O ' ' CD2' ' A' 2022 ' ' LEU . 1.8 pp -59.68 81.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 73.1 109.325 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' 2020 ' ' PRO . 0.2 OUTLIER -166.79 -159.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.44 109.251 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.584 ' CE3' ' SD ' ' A' 2058 ' ' MET . 11.5 m0 -56.46 -48.21 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 75.23 108.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.2 m170 -46.9 -25.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 73.34 109.606 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' 2022 ' ' LEU . 36.9 tt0 -70.69 -33.68 71.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 55.2 110.265 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -75.32 -30.54 60.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 75.15 110.908 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.502 ' N ' ' HG3' ' A' 2026 ' ' MET . 62.9 m95 -71.56 -50.88 26.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.175 . . . . 73.22 108.068 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.8 t60 -57.35 -57.93 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 73.13 109.568 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.71 -35.2 79.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 70.23 110.204 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.29 -63.31 4.99 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 72.31 111.017 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.631 ' HB2' ' CE1' ' A' 2108 ' ' PHE . 6.5 tp -56.92 -36.99 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 74.41 109.364 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' 2036 ' ' ARG . 6.0 mm-40 -53.06 -53.97 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 75.45 110.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.512 ' HE2' HD22 ' A' 2037 ' ' LEU . 0.0 OUTLIER -61.55 -50.4 72.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 74.12 110.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -55.1 -40.87 70.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 71.11 109.267 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' 2031 ' ' LEU . 0.6 OUTLIER -72.41 -51.96 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 73.12 109.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' 2032 ' ' GLU . 0.3 OUTLIER -49.93 -50.79 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 74.03 110.262 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' 2041 ' ' GLU . 3.1 pp -68.7 -45.08 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 72.02 109.368 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.475 ' CB ' ' O ' ' A' 2034 ' ' ALA . 19.9 t80 -54.22 -48.57 70.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 72.4 111.038 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -77.83 -44.37 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 75.22 111.089 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -79.04 -72.14 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.601 1.188 . . . . 74.44 110.946 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' 2037 ' ' LEU . 7.1 tp10 -53.21 -19.57 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 0.725 . . . . 75.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' 2038 ' ' TYR . 8.2 mmt180 60.0 26.07 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.14 110.264 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.412 ' HB3' ' HG2' ' A' 2045 ' ' LYS . 0.6 OUTLIER -124.34 120.96 33.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 73.21 109.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.491 ' CB ' HD13 ' A' 2097 ' ' LEU . 34.5 m -77.33 -29.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 70.14 109.35 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.412 ' HG2' ' HB3' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.15 -40.86 25.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 64.33 109.289 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -57.96 -50.65 64.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 74.25 110.967 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.472 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 4.7 tmm? -53.49 -44.68 69.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 0.699 . . . . 74.04 111.045 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.47 ' CD1' ' SD ' ' A' 2047 ' ' MET . 11.2 m-85 -65.8 -36.18 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 73.04 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.6 mm-40 -75.89 -14.42 60.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 72.2 110.289 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.578 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.3 t -84.62 -43.18 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 75.12 109.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.632 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.75 -46.19 26.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.373 1.046 . . . . 74.32 109.254 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.35 -55.09 1.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 75.24 110.301 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.578 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.06 -50.96 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 74.53 110.939 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.497 ' CD2' ' SD ' ' A' 2026 ' ' MET . 27.9 mt -49.34 -56.49 9.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 75.31 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 58.7 m170 -59.91 -53.06 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 75.15 109.663 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.86 -50.52 45.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 75.44 109.408 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.52 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.17 -38.23 50.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 74.13 111.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.584 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -67.81 -32.5 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.381 1.051 . . . . 62.43 111.042 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' 2055 ' ' HIS . 1.2 mm-40 -77.12 -64.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 74.05 110.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' 2056 ' ' ALA . 3.7 ptt180 -69.49 -21.9 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 71.21 110.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.35 84.7 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 70.24 111.009 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.542 1.811 . . . . 61.55 111.067 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.506 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.9 OUTLIER -152.04 -73.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 75.31 110.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' 2063 ' ' GLN . 26.6 p -157.51 177.71 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 74.44 110.418 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.93 -27.87 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 74.23 109.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -36.76 78.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 74.35 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.542 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 3.2 mm-40 -81.4 -23.57 37.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 72.41 110.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -55.73 -34.7 65.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.21 110.393 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.6 t -74.04 -36.74 64.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.4 110.006 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.444 ' CE2' HG22 ' A' 2111 ' ' ILE . 9.8 t80 -63.96 -48.24 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.22 111.089 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' 2075 ' ' GLY . 29.0 t30 -66.85 -28.92 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 73.32 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -79.12 -52.29 8.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.32 110.291 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.92 -35.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.378 1.049 . . . . 72.04 109.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.589 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.8 m-85 -107.72 -20.58 13.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 75.14 111.005 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -37.23 -39.18 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.283 0.99 . . . . 64.22 110.919 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -78.38 -48.25 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 74.24 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.02 -56.98 14.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 74.13 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.53 -39.15 61.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 74.34 109.339 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.5 mmm -57.73 -48.29 80.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 73.41 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.97 -55.92 28.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.612 1.195 . . . . 70.1 110.38 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.557 ' HB2' ' CE1' ' A' 2104 ' ' TYR . . . -55.79 -43.14 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.576 1.172 . . . . 71.23 109.269 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -53.73 -40.22 65.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 75.41 110.376 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.464 ' HA ' ' NE ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -68.15 -37.13 80.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 64.22 110.235 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.52 -23.53 58.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.187 . . . . 71.34 107.969 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.468 ' SG ' ' CD1' ' A' 2048 ' ' PHE . 9.9 t -67.67 -58.94 3.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 71.45 108.39 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' A' 2083 ' ' GLU . 4.8 ptt180 -63.24 -27.56 69.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 72.12 110.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.455 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.4 OUTLIER -61.09 -54.91 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.33 109.326 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.493 ' CZ ' HD11 ' A' 2097 ' ' LEU . 9.1 t80 -67.63 -34.78 77.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 72.24 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -50.06 61.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 74.41 111.053 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -58.13 8.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 74.34 109.355 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.53 66.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 74.14 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' 2088 ' ' TYR . . . -111.8 -130.75 5.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 62.41 110.977 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -161.47 167.75 24.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 0.774 . . . . 74.33 109.227 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.3 -33.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 74.24 109.259 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 14.2 tttt -50.52 -49.45 55.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 71.31 109.239 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.62 74.47 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.616 1.197 . . . . 63.41 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.493 HD11 ' CZ ' ' A' 2088 ' ' TYR . 0.7 OUTLIER -66.38 -49.09 68.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 75.34 109.366 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -59.27 -42.41 91.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.634 1.209 . . . . 74.24 110.383 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -43.86 95.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 72.21 110.363 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2100 ' ' ALA . . . . . 0.612 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -63.64 -40.4 96.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.25 109.297 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.419 ' NE1' ' HG3' ' A' 2047 ' ' MET . 0.8 OUTLIER -70.25 -29.79 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 73.34 108.01 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.96 -51.02 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 72.33 109.408 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.487 HD11 ' CB ' ' A' 2081 ' ' ALA . 4.3 mt -55.27 -53.17 59.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.591 1.182 . . . . 71.1 109.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' 2100 ' ' ALA . 20.0 m-85 -54.57 -56.27 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 74.14 110.948 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.583 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 1.1 t80 -47.71 -34.88 8.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 72.25 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -53.94 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 72.22 109.541 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.589 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -63.51 -49.98 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 70.31 109.344 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.631 ' CE1' ' HB2' ' A' 2031 ' ' LEU . 12.7 m-85 -57.39 -29.33 63.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 74.23 110.975 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.583 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 1.1 mtt180 -76.05 -38.51 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 73.52 110.191 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -51.19 69.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 71.25 110.339 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' 2108 ' ' PHE . 16.1 pt -48.14 -27.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 74.12 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.56 -50.88 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.13 109.898 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.03 125.59 1.98 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 74.34 109.342 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2114 ' ' GLN . . . . . 0.51 ' C ' ' CD ' ' A' 2018 ' ' ARG . 1.4 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 71.43 110.355 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.447 0.165 . . . . 72.35 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -102.09 -12.81 17.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 73.4 110.32 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 72.55 29.55 2.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 75.11 109.307 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' 2018 ' ' ARG . 5.0 mt -148.17 -89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 71.24 109.357 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.425 ' N ' HG21 ' A' 2017 ' ' ILE . 0.0 OUTLIER -158.81 85.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.168 . . . . 75.31 110.322 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.47 ' CG1' HD12 ' A' 2022 ' ' LEU . 0.2 OUTLIER -39.54 128.87 1.42 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.51 109.316 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -30.0 7.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.559 1.821 . . . . 71.52 110.972 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 1.7 pp -109.81 98.39 6.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 O-C-N 124.562 1.164 . . . . 75.22 109.313 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' A' 2022 ' ' LEU . 0.3 OUTLIER -155.25 -158.87 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 73.23 109.307 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.602 ' CZ2' ' OE1' ' A' 2063 ' ' GLN . 10.6 m0 -63.88 -51.04 66.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.886 -1.153 . . . . 73.1 107.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.574 ' CE1' HD11 ' A' 2022 ' ' LEU . 2.0 m170 -45.84 -24.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 75.55 109.537 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' 2029 ' ' GLU . 2.9 tt0 -73.62 -40.25 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 75.15 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.1 OUTLIER -67.08 -31.45 71.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 74.53 111.051 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.606 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 66.2 m95 -73.01 -50.8 21.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 75.31 108.017 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.0 OUTLIER -57.08 -50.69 72.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 72.3 109.551 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.1 mm-40 -67.38 -45.64 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 75.43 110.328 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.474 ' CA ' HD22 ' A' 2054 ' ' LEU . . . -52.29 -64.64 3.85 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.605 1.191 . . . . 62.45 110.996 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.63 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 1.9 tp -58.97 -34.04 71.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.787 . . . . 72.45 109.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' 2028 ' ' HIS . 0.1 OUTLIER -54.16 -53.61 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 74.21 110.274 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' 2037 ' ' LEU . 4.1 tt0 -69.44 -51.09 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 73.11 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -50.99 -46.96 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 72.54 109.323 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' 2031 ' ' LEU . 4.3 t -65.66 -53.73 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 73.25 110.013 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -48.49 57.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.5 1.125 . . . . 72.2 110.239 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' 2038 ' ' TYR . 2.9 pp -70.73 -44.34 67.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 75.42 109.257 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.531 ' N ' ' CD1' ' A' 2037 ' ' LEU . 27.6 t80 -51.73 -56.45 13.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.24 111.014 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -69.89 -30.4 67.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 75.03 111.04 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -47.1 -68.74 1.05 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.508 1.13 . . . . 62.33 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' 2042 ' ' ARG . 3.5 pm0 -139.48 51.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 0.822 . . . . 65.34 110.27 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' 2038 ' ' TYR . 79.0 mmt-85 35.13 40.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 74.43 110.298 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' 2041 ' ' GLU . 32.6 m-20 -94.24 64.64 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 73.22 109.268 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.552 HG11 ' CD2' ' A' 2048 ' ' PHE . 55.5 t -51.71 -22.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 72.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -45.91 62.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 73.34 109.274 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.435 ' HA3' ' CD2' ' A' 2037 ' ' LEU . . . -53.46 -54.01 32.26 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.477 1.11 . . . . 72.5 110.976 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.489 ' CE ' HG12 ' A' 2044 ' ' VAL . 12.7 tmm? -51.49 -54.73 24.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 0.782 . . . . 72.34 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.577 ' CD2' ' HE3' ' A' 2089 ' ' MET . 20.6 m-85 -49.84 -42.81 48.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 75.12 111.052 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 2.4 mm-40 -76.87 -15.29 59.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 64.01 110.254 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.589 ' C ' ' HD2' ' A' 2053 ' ' PRO . 6.2 t -85.31 -45.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 72.21 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.583 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.29 -43.1 34.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 72.34 109.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.544 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -37.19 -54.63 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 74.24 110.31 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.589 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.95 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 75.14 110.929 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.488 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -48.03 -55.56 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 75.44 109.354 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 32.4 m170 -61.2 -52.44 64.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 71.22 109.598 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.22 -52.32 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 74.05 109.349 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.518 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -49.98 -38.84 38.82 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.529 1.143 . . . . 63.12 110.997 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.4 mmt -68.51 -31.63 71.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 74.51 110.993 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.1 mt-10 -78.11 -63.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 63.45 110.369 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.78 -15.95 62.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 71.43 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.82 75.05 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.437 1.086 . . . . 62.41 111.073 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.0 Cg_endo -75.13 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.463 1.77 . . . . 74.31 110.931 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.602 ' OE1' ' CZ2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -139.4 -81.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 71.52 110.315 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' 2063 ' ' GLN . 1.9 p -157.73 -172.7 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 73.22 110.333 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.82 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 71.14 109.268 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -36.68 76.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.31 109.249 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.27 -21.21 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 74.32 110.253 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 3.8 m -54.33 -27.01 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 73.4 110.364 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.0 t -68.8 -38.44 79.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 64.21 109.961 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 10.9 t80 -66.97 -52.93 36.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.391 1.057 . . . . 75.5 111.042 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' 2075 ' ' GLY . 1.7 t-20 -59.02 -30.52 68.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 62.32 109.337 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -79.22 -40.02 31.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 74.25 110.348 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -53.01 -35.18 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 74.44 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.551 ' CD1' HG12 ' A' 2107 ' ' VAL . 55.4 m-85 -108.58 -17.21 14.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 75.22 110.877 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.76 -46.81 0.89 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.5 1.125 . . . . 74.04 111.049 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -39.3 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 0.822 . . . . 70.15 110.284 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' 2074 ' ' TYR . 16.6 m-20 -58.32 -60.12 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 71.41 109.264 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' 2055 ' ' HIS . 23.1 mt -52.58 -39.76 61.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.2 . . . . 74.43 109.366 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.85 -45.77 78.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 71.04 111.058 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.505 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.8 tt0 -66.31 -61.39 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 74.31 110.396 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -52.95 -42.05 65.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.606 1.191 . . . . 62.22 109.36 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2082 ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.5 tt0 -57.57 -41.66 81.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 65.04 110.274 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -63.1 -38.36 90.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.44 110.276 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 94.4 m95 -72.71 -23.48 60.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 74.44 108.035 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 1.3 m -73.29 -58.7 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 73.25 108.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.499 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 6.2 ptt180 -66.86 -27.89 67.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 72.04 110.224 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -68.9 -44.54 72.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.22 109.306 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.4 OUTLIER -71.53 -37.65 71.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.591 1.182 . . . . 71.34 111.077 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.577 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -65.0 -38.03 89.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 72.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -41.33 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 74.33 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' 2087 ' ' LYS . 8.5 t -81.52 -71.61 0.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.39 1.057 . . . . 64.2 109.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 106.68 90.73 2.18 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.473 1.108 . . . . 72.23 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.82 106.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 73.41 109.319 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.5 t -46.56 -40.9 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 73.3 109.288 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -49.57 -48.2 48.78 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.465 1.103 . . . . 73.43 109.307 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -65.51 -39.25 91.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 71.24 109.321 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.55 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 4.1 tp -63.82 -46.03 86.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.396 1.06 . . . . 72.43 109.236 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -57.69 -43.13 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 64.43 110.373 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -41.25 98.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 74.44 110.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.9 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 74.04 109.342 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.414 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.0 OUTLIER -64.64 -32.13 73.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 74.41 108.089 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -51.17 61.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 75.54 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.2 mp -54.7 -49.53 70.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 71.54 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -56.54 -51.68 67.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 72.53 111.089 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -47.44 -46.22 26.45 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.529 1.143 . . . . 74.54 110.995 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.21 -40.99 99.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 62.04 109.593 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.551 HG12 ' CD1' ' A' 2074 ' ' TYR . 3.8 t -66.45 -57.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 75.44 109.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.63 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 32.4 m-85 -62.57 -29.12 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 75.3 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.6 ttm180 -74.9 -30.05 61.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 74.43 110.196 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -51.13 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.12 110.353 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.606 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 14.4 pt -47.55 -29.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 72.15 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 45.1 t -86.1 -51.23 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 73.44 109.968 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.18 142.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 75.23 109.334 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 74.43 110.316 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.475 0.178 . . . . 73.12 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -114.71 -30.23 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 64.52 110.271 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.96 -152.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 72.53 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.445 HG21 ' CD ' ' A' 2018 ' ' ARG . 1.3 mt -39.76 -60.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.39 1.056 . . . . 75.43 109.301 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' 2019 ' ' VAL . 0.0 OUTLIER -167.69 176.01 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.44 110.289 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.449 ' N ' ' HG2' ' A' 2018 ' ' ARG . 3.7 t -90.45 135.72 29.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 74.34 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 -23.0 14.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.582 1.833 . . . . 51.13 111.04 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 22.6 mt -103.8 46.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 71.31 109.298 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.43 ' CD2' ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -130.09 177.8 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.409 1.068 . . . . 74.04 109.24 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.607 ' CE3' ' SD ' ' A' 2058 ' ' MET . 10.7 m0 -47.89 -43.75 28.94 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.098 . . . . 74.54 108.034 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.6 m80 -47.53 -23.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 74.22 109.517 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.0 tt0 -71.01 -35.8 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 70.3 110.234 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.5 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.1 OUTLIER -74.48 -31.53 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 74.12 110.994 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.585 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 72.7 m95 -74.01 -37.61 64.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 73.2 108.026 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' 2032 ' ' GLU . 1.7 t60 -68.88 -56.74 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.13 109.577 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 2.2 pp20? -69.47 -36.37 76.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 62.15 110.408 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' 2026 ' ' MET . . . -58.52 -65.06 3.77 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.431 1.082 . . . . 65.24 110.989 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.633 ' HB2' ' CE2' ' A' 2108 ' ' PHE . 2.7 tp -61.36 -30.53 70.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 73.32 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' 2028 ' ' HIS . 6.9 mm-40 -53.32 -52.14 60.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.32 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.08 -51.15 16.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 74.21 110.412 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.458 ' HB3' ' CB ' ' A' 2047 ' ' MET . . . -51.42 -42.66 61.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 73.24 109.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 79.3 p -72.34 -48.91 38.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 70.12 110.062 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' 2032 ' ' GLU . 1.1 mtt85 -50.31 -51.88 41.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 73.34 110.318 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.496 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 3.9 pp -68.29 -46.88 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.068 . . . . 70.4 109.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.438 ' CB ' ' O ' ' A' 2034 ' ' ALA . 27.7 t80 -54.22 -52.25 61.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 73.32 110.991 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -74.37 -46.31 41.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 74.51 110.907 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -59.97 -54.88 33.8 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.528 1.143 . . . . 42.05 110.968 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -117.91 155.4 30.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 73.15 110.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.45 ' C ' ' CD ' ' A' 2042 ' ' ARG . 0.0 OUTLIER -84.94 46.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 73.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -127.64 87.1 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.34 109.263 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' 2097 ' ' LEU . 32.1 m -65.37 -12.42 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 75.21 109.276 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.66 -39.09 49.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.508 1.13 . . . . 74.3 109.251 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.571 ' O ' ' CG2' ' A' 2050 ' ' VAL . . . -55.5 -44.32 85.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 73.45 111.056 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.495 ' O ' ' HG ' ' A' 2051 ' ' LEU . 30.7 ttp -65.54 -55.54 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 64.04 110.923 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.588 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 31.2 m-85 -50.41 -44.99 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 74.42 110.999 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.5 pp20? -75.51 -16.52 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 71.43 110.337 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.586 ' C ' ' HD2' ' A' 2053 ' ' PRO . 3.9 t -85.1 -45.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.557 1.16 . . . . 75.25 109.35 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.6 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.3 OUTLIER -76.93 -42.58 38.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 75.3 109.294 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.6 OUTLIER -36.94 -55.04 1.68 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 45.32 110.339 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -75.03 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 72.23 111.055 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.482 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.1 OUTLIER -48.85 -56.15 9.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 75.11 109.262 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' 2051 ' ' LEU . 56.6 m170 -60.05 -52.35 65.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 73.11 109.658 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.55 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 73.41 109.317 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.553 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.23 -36.88 32.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 74.0 111.005 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.607 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -69.93 -31.67 69.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 74.03 111.053 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.53 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 72.42 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.8 ptp180 -71.2 -20.99 62.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 74.45 110.399 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.28 80.34 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 73.4 111.063 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 72.25 110.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.507 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -145.93 -76.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.52 110.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' 2063 ' ' GLN . 2.0 p -160.58 -169.05 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 74.01 110.457 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' 2065 ' ' LEU . 0.3 OUTLIER -66.69 -28.1 68.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 74.15 109.268 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.27 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 73.44 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.534 ' CG ' ' CZ3' ' A' 2023 ' ' TRP . 3.3 tp10 -76.55 -18.47 58.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 74.22 110.279 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 15.7 m -63.19 -35.85 81.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.24 110.422 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.5 m -70.76 -31.64 68.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.11 109.986 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.403 ' CE2' ' HE2' ' A' 2074 ' ' TYR . 32.0 t80 -66.18 -52.68 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 72.21 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.505 ' O ' ' CA ' ' A' 2075 ' ' GLY . 28.9 t-20 -63.5 -29.12 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 61.45 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.6 -53.2 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 74.12 110.371 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.0 -46.44 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 74.54 109.241 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.581 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.5 m-85 -97.8 -14.98 20.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 75.3 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.44 -39.42 1.15 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 74.5 111.043 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -51.74 9.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.376 0.692 . . . . 72.44 110.248 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.05 -54.15 43.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 74.41 109.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.95 -36.59 60.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 73.32 109.295 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 ttp -63.16 -47.24 83.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.15 110.94 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.483 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.8 tt0 -64.38 -58.54 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.635 1.209 . . . . 74.34 110.361 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.424 ' HB3' ' CB ' ' A' 2103 ' ' LEU . . . -53.12 -42.13 65.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.04 109.238 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.97 -39.33 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 74.13 110.309 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -37.51 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.22 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.547 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.7 m95 -68.21 -33.88 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.015 -1.105 . . . . 65.55 108.015 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.95 -55.81 12.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 73.31 108.259 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.76 -44.22 86.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 72.53 110.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.547 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.48 -34.68 75.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 62.13 109.198 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.584 ' CE2' HD13 ' A' 2097 ' ' LEU . 0.4 OUTLIER -74.92 -42.66 57.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 74.21 111.081 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.52 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 1.3 mtt -62.35 -32.34 73.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 74.15 110.956 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -48.6 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 64.15 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.9 t -77.2 -67.41 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 75.31 109.946 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 101.71 108.13 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.422 1.076 . . . . 54.35 111.019 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.46 120.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 74.03 109.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 t -56.72 -40.07 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.112 . . . . 72.41 109.31 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 15.1 tttt -49.41 -46.6 47.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 75.33 109.253 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -37.15 81.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 73.51 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.584 HD13 ' CE2' ' A' 2088 ' ' TYR . 0.4 OUTLIER -62.27 -43.72 98.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 74.11 109.293 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 27.8 m -62.89 -47.04 85.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 73.11 110.368 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2099 ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.0 OUTLIER -53.61 -51.5 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 71.14 110.215 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.05 95.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.53 109.315 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.486 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 2.3 m95 -60.54 -30.74 69.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 124.481 1.113 . . . . 75.23 108.081 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.83 -51.0 60.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 74.11 109.319 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 8.0 mp -53.76 -53.35 53.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 73.01 109.397 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -54.04 -56.17 20.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.43 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.7 OUTLIER -48.17 -35.87 12.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 64.54 110.98 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2106 ' ' HIS . . . . . 0.472 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.0 OUTLIER -64.68 -44.66 89.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 72.04 109.59 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.581 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -78.07 -37.26 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 72.3 109.307 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.633 ' CE2' ' HB2' ' A' 2031 ' ' LEU . 11.0 m-85 -71.24 -34.61 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.085 . . . . 74.01 111.039 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -80.86 -28.35 36.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 74.53 110.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2110 ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -70.68 -50.79 32.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 72.13 110.33 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.585 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 9.2 pt -42.68 -32.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 72.32 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 15.7 p -87.85 -54.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 52.25 109.949 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 123.62 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 73.45 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 72.33 110.322 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.552 0.215 . . . . 71.5 110.943 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.25 -10.48 56.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 72.12 110.206 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.01 -176.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 72.34 109.218 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.442 ' O ' ' NH1' ' A' 2018 ' ' ARG . 4.4 mm 60.69 150.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 72.52 109.359 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' 2017 ' ' ILE . 0.0 OUTLIER -179.04 129.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 70.15 110.41 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' 2022 ' ' LEU . 48.3 t -51.23 136.23 30.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 73.24 109.288 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' 2025 ' ' GLU . 18.1 Cg_endo -75.01 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 74.24 111.024 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 1.5 pp -104.94 96.58 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 72.31 109.266 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.473 ' HB2' ' CG1' ' A' 2019 ' ' VAL . 3.2 tp -167.22 178.32 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 74.11 109.231 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.59 ' CE3' ' SD ' ' A' 2058 ' ' MET . 5.4 m0 -73.81 -51.42 16.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.44 108.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.463 ' CE1' HD21 ' A' 2022 ' ' LEU . 4.0 m80 -47.51 -22.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 75.23 109.693 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' 2029 ' ' GLU . 8.7 tp10 -72.95 -35.59 67.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 75.01 110.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -75.18 -32.05 61.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 70.22 111.046 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.592 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 70.8 m95 -72.55 -49.8 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.016 -1.105 . . . . 74.4 108.016 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.08 -58.39 8.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 70.11 109.677 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.6 pp20? -68.29 -35.15 77.42 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.419 1.074 . . . . 74.21 110.416 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.81 -64.52 4.29 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.503 1.127 . . . . 71.44 111.13 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.619 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 3.9 tp -59.9 -32.6 70.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 71.33 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' 2036 ' ' ARG . 12.5 mm-40 -53.29 -48.6 68.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.03 110.294 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -74.63 -50.18 18.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 73.45 110.19 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.526 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -51.46 -39.96 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 71.41 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' 2031 ' ' LEU . 3.2 t -76.99 -49.54 15.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 53.5 109.987 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' 2032 ' ' GLU . 0.9 OUTLIER -49.72 -46.44 50.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 74.45 110.365 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' 2041 ' ' GLU . 4.4 pp -70.64 -46.11 63.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 64.33 109.245 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.463 ' N ' HD11 ' A' 2037 ' ' LEU . 41.8 t80 -53.04 -46.79 68.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 74.32 111.036 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -77.31 -46.28 23.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.375 1.047 . . . . 73.2 110.982 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -83.42 -73.04 1.26 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.545 1.153 . . . . 61.43 111.042 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' 2037 ' ' LEU . 1.5 tp10 -48.07 -25.72 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 0.741 . . . . 73.12 110.369 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' 2037 ' ' LEU . 1.7 mmt180 63.38 20.87 12.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 73.52 110.406 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.506 ' O ' ' CD1' ' A' 2037 ' ' LEU . 1.9 m-20 -124.82 127.45 47.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 73.13 109.33 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2044 ' ' VAL . . . . . . . . . . . . . 34.0 m -81.79 -12.85 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 71.11 109.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -33.85 64.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 72.24 109.246 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.569 ' O ' ' CG2' ' A' 2050 ' ' VAL . . . -70.44 -39.58 69.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.605 1.191 . . . . 73.34 111.048 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.564 ' HE1' ' CE1' ' A' 2048 ' ' PHE . 8.2 tmm? -64.88 -42.23 94.99 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.466 0.744 . . . . 74.11 111.016 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.609 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 11.9 m-85 -73.12 -38.32 66.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 74.42 111.039 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.539 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -76.38 -14.69 60.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.23 110.271 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.582 ' C ' ' HD2' ' A' 2053 ' ' PRO . 4.4 t -84.92 -42.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 74.53 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.7 -46.18 26.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 71.1 109.273 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.463 ' HE2' ' HB3' ' A' 2048 ' ' PHE . 0.4 OUTLIER -35.3 -54.6 1.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 63.31 110.24 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.582 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.97 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.459 1.768 . . . . 64.21 110.962 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.11 -55.76 11.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 73.23 109.281 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 61.1 m170 -60.07 -51.63 68.79 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.551 1.157 . . . . 71.24 109.669 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.92 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 71.21 109.401 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.51 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.28 -37.29 46.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 75.15 111.056 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.59 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -69.57 -31.34 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 71.15 110.978 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.29 -63.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 73.31 110.212 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' 2056 ' ' ALA . 17.4 ptp180 -72.17 -17.7 61.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.0 110.303 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.64 75.79 0.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 63.42 110.978 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.411 1.743 . . . . 71.15 110.963 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -146.33 -70.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 64.43 110.169 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' 2065 ' ' LEU . 7.9 t -161.84 -171.81 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 72.21 110.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -65.63 -34.68 78.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 74.1 109.29 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 7.1 mttp -62.63 -32.65 73.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 73.42 109.254 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.94 -19.84 28.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.051 . . . . 63.21 110.316 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 4.3 m -64.18 -34.53 78.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 71.41 110.349 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.5 t -71.29 -33.55 69.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 70.11 109.991 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' 2070 ' ' PHE . 5.4 t80 -63.45 -54.14 41.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 75.32 111.05 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 2.4 t30 -62.43 -28.75 70.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 72.53 109.373 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.65 -43.71 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 64.23 110.251 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -54.28 -44.9 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 73.54 109.186 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.1 m-85 -98.97 -9.09 24.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 70.33 110.935 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -44.33 -47.57 8.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 61.1 111.067 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2076 ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -67.39 -27.38 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 72.51 110.363 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' 2074 ' ' TYR . 6.1 m-20 -80.77 -50.35 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 71.01 109.289 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.82 -41.54 91.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 73.02 109.33 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2079 ' ' MET . . . . . 0.518 ' CG ' ' N ' ' A' 2080 ' ' GLU . 11.6 ptm -69.08 -42.55 76.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 73.02 111.043 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' 2079 ' ' MET . 1.4 tt0 -67.05 -56.55 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 74.51 110.241 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.504 ' HA ' ' CD1' ' A' 2103 ' ' LEU . . . -55.22 -41.83 72.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 63.52 109.211 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.63 -42.64 79.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 65.12 110.289 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.443 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.92 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.379 1.049 . . . . 75.31 110.301 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.21 -34.73 78.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 74.23 108.052 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.609 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.9 t -60.66 -55.78 29.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 74.45 108.325 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -32.16 65.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 75.23 110.18 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' 2091 ' ' SER . 9.3 mttt -61.41 -49.93 74.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 73.42 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.449 ' O ' ' HA2' ' A' 2092 ' ' GLY . 5.0 t80 -72.59 -31.89 65.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 73.41 110.918 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.55 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -67.3 -36.74 82.14 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.535 1.147 . . . . 75.33 110.925 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 -57.03 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.173 . . . . 73.03 109.341 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.1 t -63.23 -63.94 1.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 74.31 110.031 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 100.29 77.66 1.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 72.01 110.959 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.49 116.89 6.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.795 . . . . 75.05 109.33 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 t -54.97 -35.95 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 73.32 109.292 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -49.82 -51.6 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 73.33 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.24 109.225 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.439 HD23 ' CZ ' ' A' 2088 ' ' TYR . 2.5 tp -63.62 -46.85 83.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 73.33 109.262 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.0 m -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.43 110.422 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 73.12 110.392 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2100 ' ' ALA . . . . . 0.441 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -61.62 -39.89 92.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 72.04 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.474 ' CH2' HD11 ' A' 2031 ' ' LEU . 0.5 OUTLIER -68.42 -30.43 69.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.956 -1.127 . . . . 74.45 107.956 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.34 -50.38 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.34 109.27 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 13.7 mt -54.93 -51.67 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 65.35 109.359 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.486 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 19.0 m-85 -53.57 -56.27 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 71.44 111.048 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.507 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.54 -37.14 25.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 74.33 110.995 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.04 79.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 74.52 109.558 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -72.3 -48.45 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 70.21 109.345 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.619 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 14.5 m-85 -60.99 -29.8 69.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 74.41 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.5 tpt180 -77.14 -39.35 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.43 110.231 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -51.44 69.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 75.13 110.371 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.517 ' CG1' ' O ' ' A' 2108 ' ' PHE . 14.5 pt -46.79 -27.84 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 65.03 109.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.448 ' C ' ' N ' ' A' 2114 ' ' GLN . 2.0 p -93.93 -50.62 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 55.41 110.025 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2113 ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' 2113 ' ' LYS . 0.2 OUTLIER -40.28 -30.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 73.14 109.253 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2114 ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' 2112 ' ' SER . 6.0 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.23 110.292 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.448 0.166 . . . . 71.23 110.976 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.19 -23.66 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 73.54 110.296 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' 2017 ' ' ILE . 0.3 OUTLIER -153.86 144.01 22.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 74.43 109.303 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.409 ' N ' HD13 ' A' 2016 ' ' LEU . 0.1 OUTLIER -45.32 159.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.25 109.276 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.09 122.73 48.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 74.25 110.279 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 2.8 p -39.96 133.38 1.45 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 62.32 109.309 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.428 ' O ' ' HG2' ' A' 2025 ' ' GLU . 18.1 Cg_endo -75.06 -37.7 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 73.34 111.019 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 1.7 pp -106.57 98.99 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 72.04 109.361 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.497 HD12 ' CE1' ' A' 2024 ' ' HIS . 0.2 OUTLIER -179.2 163.58 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 73.35 109.388 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.672 ' CD2' ' CE ' ' A' 2058 ' ' MET . 1.4 m0 -57.59 -48.35 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.951 -1.129 . . . . 73.32 107.951 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.497 ' CE1' HD12 ' A' 2022 ' ' LEU . 11.8 m80 -47.76 -30.46 3.94 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.567 1.167 . . . . 64.52 109.652 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' 2020 ' ' PRO . 4.5 tp10 -69.67 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.134 . . . . 70.32 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.3 OUTLIER -70.97 -39.43 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 74.22 111.007 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.691 ' CD1' ' SD ' ' A' 2026 ' ' MET . 63.3 m95 -65.5 -50.98 63.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.55 107.912 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -52.9 -54.06 40.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.3 109.571 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' 2028 ' ' HIS . 4.1 mm-40 -67.29 -43.54 81.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 72.02 110.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.477 ' HA3' ' CD2' ' A' 2054 ' ' LEU . . . -53.86 -65.23 3.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 75.03 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.601 HD22 ' CD2' ' A' 2108 ' ' PHE . 3.3 tp -58.75 -30.61 67.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 0.793 . . . . 75.03 109.29 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' 2028 ' ' HIS . 0.7 OUTLIER -54.03 -50.92 65.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 72.21 110.396 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.05 -51.57 13.2 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.525 1.14 . . . . 64.43 110.263 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -52.06 -43.96 64.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.411 1.069 . . . . 74.13 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' 2031 ' ' LEU . 60.1 p -72.36 -51.26 21.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 72.34 110.068 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' 2032 ' ' GLU . 0.0 OUTLIER -50.5 -50.01 53.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 75.22 110.326 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' 2041 ' ' GLU . 4.2 pp -67.91 -45.08 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 72.53 109.302 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.424 ' N ' HD13 ' A' 2037 ' ' LEU . 46.7 t80 -56.04 -50.51 70.74 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 74.23 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -76.43 -45.74 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 71.42 111.014 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -79.5 -71.97 1.22 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 65.51 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' 2042 ' ' ARG . 4.3 tp10 -49.15 -43.88 42.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 62.14 110.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' 2041 ' ' GLU . 4.2 tpt180 86.38 11.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.621 1.2 . . . . 74.51 110.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.434 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 11.5 m-20 -112.27 125.42 54.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 74.1 109.3 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2044 ' ' VAL . . . . . . . . . . . . . 30.8 m -81.95 -26.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 74.33 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.434 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.25 -39.35 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 75.21 109.26 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -61.74 -52.09 53.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.427 1.079 . . . . 73.12 111.004 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.563 ' HE1' ' CD2' ' A' 2048 ' ' PHE . 5.9 tmm? -52.6 -41.35 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 71.32 110.988 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.638 ' CE2' ' CE2' ' A' 2088 ' ' TYR . 31.5 m-85 -67.7 -38.09 83.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 70.44 111.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.517 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.2 mt-10 -75.16 -15.1 60.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.384 1.053 . . . . 71.53 110.369 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.538 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.6 t -84.07 -45.58 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.614 1.196 . . . . 64.03 109.368 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.611 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -75.92 -43.48 44.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 75.32 109.264 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.499 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 1.6 mt-10 -35.16 -57.03 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 74.02 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.538 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.93 -46.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.438 1.757 . . . . 73.41 111.022 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.519 ' HG ' ' CG ' ' A' 2026 ' ' MET . 0.2 OUTLIER -49.63 -56.12 11.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.561 1.163 . . . . 74.13 109.289 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 47.2 m170 -60.25 -52.54 64.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 73.51 109.556 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.56 -51.03 39.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 73.43 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' 2026 ' ' MET . 0.0 OUTLIER -51.71 -39.93 59.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 63.5 111.068 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.672 ' CE ' ' CD2' ' A' 2023 ' ' TRP . 0.4 OUTLIER -73.41 -25.87 60.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 70.35 110.966 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.7 mt-10 -77.85 -63.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.649 1.218 . . . . 74.5 110.364 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' 2056 ' ' ALA . 19.1 ptt180 -68.02 -27.14 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.13 110.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -131.77 91.09 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 75.21 111.002 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.496 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -75.04 -96.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.812 . . . . 75.3 110.925 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' 2062 ' ' PRO . 0.0 OUTLIER 177.39 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.459 1.099 . . . . 72.42 110.273 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' 2065 ' ' LEU . 2.1 t -163.49 177.4 8.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.15 110.457 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -58.7 -26.56 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.629 1.206 . . . . 73.14 109.33 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -67.99 -52.78 31.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 71.11 109.312 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -68.8 -23.76 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.345 1.028 . . . . 61.15 110.357 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 27.8 m -55.11 -26.95 41.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 74.23 110.449 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 33.9 t -74.05 -33.75 63.82 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.458 1.099 . . . . 65.1 109.916 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.419 ' CE2' ' CE3' ' A' 2023 ' ' TRP . 5.1 t80 -72.39 -53.52 12.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 75.11 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' 2075 ' ' GLY . 18.3 t-20 -54.84 -31.7 59.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.607 1.192 . . . . 74.35 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -41.28 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 54.55 110.381 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.45 89.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.11 109.24 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.51 ' CD2' ' HB ' ' A' 2107 ' ' VAL . 2.0 m-85 -91.38 -19.72 22.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 75.13 110.994 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' 2074 ' ' TYR . . . -34.82 -48.87 0.73 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 72.41 110.978 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -72.81 -43.61 62.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 75.41 110.355 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 2074 ' ' TYR . 11.9 m-20 -56.21 -65.61 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.5 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' 2082 ' ' GLN . 8.0 mt -52.54 -33.59 46.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.25 109.389 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2079 ' ' MET . . . . . 0.426 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.9 mtt -57.58 -47.32 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.42 111.001 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -66.49 -56.64 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 74.53 110.407 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.47 ' N ' HD13 ' A' 2103 ' ' LEU . . . -57.0 -41.69 78.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 75.21 109.304 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2082 ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -62.05 -35.02 77.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.311 1.007 . . . . 75.41 110.358 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.526 ' HA ' ' HD3' ' A' 2086 ' ' ARG . 0.0 OUTLIER -67.51 -37.47 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 65.41 110.276 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.419 ' HA ' ' HB3' ' A' 2087 ' ' LYS . 99.1 m95 -76.11 -21.0 57.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 72.11 107.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 3.3 t -70.68 -60.34 2.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 73.31 108.317 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.526 ' HD3' ' HA ' ' A' 2083 ' ' GLU . 2.6 ptt-85 -66.26 -27.36 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 75.54 110.343 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -69.32 -35.66 76.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.579 1.175 . . . . 73.43 109.32 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.762 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 6.9 t80 -73.22 -46.3 51.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 74.45 111.013 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -33.93 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 73.52 111.01 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -49.56 7.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 72.4 109.297 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.2 t -78.79 -69.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 75.41 110.03 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.26 92.06 2.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 70.5 111.064 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.3 130.74 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 65.43 109.209 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -64.93 -50.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 75.02 109.365 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -49.3 -48.57 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 74.44 109.364 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.762 ' HD2' ' HB2' ' A' 2088 ' ' TYR . 0.0 OUTLIER -64.6 -44.46 90.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 72.02 109.282 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.587 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 3.0 tp -53.56 -49.99 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 75.03 109.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 55.0 m -59.68 -39.09 83.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 75.22 110.341 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.53 -47.81 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 73.53 110.289 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.26 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 55.21 109.306 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -31.32 66.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.571 1.169 . . . . 74.15 108.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -50.69 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 70.32 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' 2081 ' ' ALA . 16.8 mt -55.7 -50.36 70.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 74.1 109.264 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.422 ' O ' HG22 ' A' 2107 ' ' VAL . 9.4 m-85 -54.25 -55.28 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 63.22 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.13 -39.85 30.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 72.31 110.963 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -47.76 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 72.21 109.631 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.51 ' HB ' ' CD2' ' A' 2074 ' ' TYR . 0.6 OUTLIER -71.35 -48.51 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 72.02 109.293 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.601 ' CD2' HD22 ' A' 2031 ' ' LEU . 12.0 m-85 -59.75 -31.06 69.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 73.15 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' 2105 ' ' TYR . 14.0 ttp180 -77.95 -35.01 50.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 73.11 110.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -52.11 63.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.416 1.072 . . . . 73.41 110.331 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.595 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 12.6 pt -44.61 -34.7 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 75.2 109.253 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.6 OUTLIER -79.73 -53.41 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 73.22 109.939 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2113 ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' 2112 ' ' SER . 8.6 mptt -40.25 111.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 74.54 109.375 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.2 110.182 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.453 0.168 . . . . 73.24 110.981 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -89.42 -8.38 53.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 74.13 110.218 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.81 174.64 7.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.169 . . . . 75.33 109.26 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 3.6 mp 63.29 139.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.609 1.193 . . . . 75.41 109.287 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.98 141.29 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 75.02 110.35 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 54.7 t -62.03 140.05 95.88 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 74.52 109.387 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' 2022 ' ' LEU . 18.1 Cg_endo -74.96 -90.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.509 1.794 . . . . 74.11 111.016 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 2.0 pp -62.42 81.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 72.25 109.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.2 OUTLIER -147.34 153.48 39.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 72.1 109.304 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.551 ' CE3' ' OE1' ' A' 2067 ' ' GLU . 5.7 m0 -51.98 -54.74 26.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.452 1.095 . . . . 74.22 108.1 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.8 m170 -47.35 -22.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 75.22 109.578 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' 2022 ' ' LEU . 6.4 tp10 -72.3 -38.67 68.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 63.11 110.331 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.92 -31.53 66.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.143 . . . . 75.32 111.053 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.494 ' N ' ' HG3' ' A' 2026 ' ' MET . 57.0 m95 -69.25 -50.54 46.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 75.44 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -56.36 -53.73 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 72.21 109.693 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.9 mm-40 -65.51 -38.56 90.05 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.51 1.131 . . . . 73.11 110.266 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.415 ' O ' HG12 ' A' 2050 ' ' VAL . . . -55.16 -65.32 3.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.375 1.047 . . . . 71.44 110.903 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.753 ' HG ' ' CE2' ' A' 2108 ' ' PHE . 6.9 mt -58.12 -31.08 66.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 74.51 109.36 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.87 -50.54 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.488 ' N ' ' HG2' ' A' 2032 ' ' GLU . 2.7 tt0 -73.57 -45.79 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 74.34 110.326 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.449 ' CB ' ' HG2' ' A' 2047 ' ' MET . . . -55.4 -49.43 72.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 63.1 109.262 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 22.8 p -60.4 -43.81 96.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 74.12 109.922 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' 2040 ' ' GLY . 1.9 ttt-85 -55.96 -37.51 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.11 110.337 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' 2041 ' ' GLU . 2.4 mt -71.61 -34.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.386 1.054 . . . . 64.12 109.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' 2041 ' ' GLU . 84.0 t80 -76.67 -53.39 8.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 73.11 111.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -75.08 -45.41 41.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 72.1 111.02 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -61.95 -53.28 44.15 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.456 1.098 . . . . 63.21 111.011 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' 2037 ' ' LEU . 5.7 pt-20 -132.02 -172.0 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 74.44 110.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.78 30.65 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.31 110.332 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.526 ' ND2' ' CG ' ' A' 2045 ' ' LYS . 2.2 t30 -102.48 87.57 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 71.34 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.584 HG13 ' CE2' ' A' 2048 ' ' PHE . 6.4 t -68.15 -21.64 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 73.35 109.294 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.526 ' CG ' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -52.9 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 75.12 109.322 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -52.97 -54.69 27.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.409 1.068 . . . . 73.41 111.059 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' 2047 ' ' MET . 12.5 tmm? -54.72 -49.05 71.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.426 0.721 . . . . 74.43 111.006 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.619 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.6 m-85 -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 74.33 110.949 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.8 mm-40 -76.24 -13.74 60.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 72.44 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.575 ' C ' ' HD2' ' A' 2053 ' ' PRO . 24.2 t -83.28 -44.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.652 1.22 . . . . 61.23 109.358 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.623 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.83 -45.47 28.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 74.02 109.295 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.5 mm-40 -34.5 -54.63 0.92 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.595 1.184 . . . . 74.43 110.305 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.575 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.8 Cg_endo -75.1 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.587 1.835 . . . . 64.42 110.915 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.509 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -49.29 -55.76 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.331 1.019 . . . . 73.24 109.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 52.2 m170 -59.85 -51.88 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 74.41 109.562 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.16 -49.62 63.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.512 1.133 . . . . 54.22 109.344 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.63 -37.63 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 63.33 110.974 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.534 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -68.15 -35.83 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 64.41 110.967 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.99 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 71.44 110.33 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.5 ptm85 -69.97 -22.04 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 71.55 110.335 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.93 80.67 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 72.14 111.042 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -161.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.579 1.831 . . . . 70.33 111.038 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.404 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 2.8 mm-40 -142.58 -68.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.542 1.152 . . . . 72.43 110.38 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 5.1 t -176.51 172.29 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 73.45 110.381 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.77 -29.47 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 62.41 109.228 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.3 mttp -67.05 -51.53 53.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 74.35 109.341 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.551 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 7.7 mm-40 -70.73 -25.05 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.54 110.281 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 18.1 m -54.53 -34.33 61.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 74.21 110.37 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -41.54 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 73.44 110.089 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 9.2 t80 -61.94 -53.64 52.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 72.45 110.999 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 4.7 t30 -58.42 -30.65 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 71.03 109.32 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -79.56 -35.34 39.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 52.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -58.98 -27.97 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 73.4 109.25 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.48 ' CD1' HG12 ' A' 2107 ' ' VAL . 56.1 m-85 -114.33 -18.02 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 73.13 110.993 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.45 -43.57 0.54 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.401 1.063 . . . . 75.05 110.921 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -41.91 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 75.03 110.343 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.2 m-20 -57.92 -61.89 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 71.34 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' 2082 ' ' GLN . 29.6 mt -51.78 -35.84 45.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 74.03 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.41 81.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 63.04 111.033 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.5 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 39.7 tt0 -64.33 -60.05 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 70.41 110.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.571 ' HB1' ' CE1' ' A' 2104 ' ' TYR . . . -52.37 -41.95 63.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 52.44 109.369 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2082 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.3 tt0 -59.02 -39.17 81.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 72.21 110.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.511 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.08 -35.71 82.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 75.5 110.182 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.477 ' HB2' ' CB ' ' A' 2100 ' ' ALA . 97.1 m95 -74.88 -24.06 58.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.975 -1.12 . . . . 74.43 107.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.619 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -69.75 -58.93 3.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 74.22 108.349 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.511 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.5 OUTLIER -64.8 -27.78 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.41 110.307 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.439 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.57 -35.07 72.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 71.51 109.376 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.755 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 16.0 t80 -74.82 -51.32 14.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 74.32 110.991 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.43 ' HE1' ' CD2' ' A' 2048 ' ' PHE . 3.6 mtt -59.69 -34.29 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 73.55 110.941 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.455 ' O ' ' HD3' ' A' 2090 ' ' LYS . 0.0 OUTLIER -68.49 -59.02 3.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 71.12 109.233 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.76 70.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 65.14 110.057 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -118.6 -150.39 8.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.585 1.178 . . . . 74.11 110.955 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t30 -147.66 159.45 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.395 0.703 . . . . 72.44 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.93 -41.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 75.34 109.207 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -49.48 50.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 53.32 109.289 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.755 ' HD2' ' HB2' ' A' 2088 ' ' TYR . 0.0 OUTLIER -64.82 -42.48 94.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 65.1 109.269 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -58.6 -45.05 89.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 71.41 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 22.6 m -59.5 -46.82 87.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 72.21 110.399 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2099 ' ' GLN . . . . . 0.412 ' NE2' HD11 ' A' 2103 ' ' LEU . 0.0 OUTLIER -55.07 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 74.04 110.213 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2100 ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' 2084 ' ' TRP . . . -56.58 -41.57 77.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 64.33 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.67 ' CH2' ' CD2' ' A' 2031 ' ' LEU . 0.0 OUTLIER -65.33 -33.99 77.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.879 -1.156 . . . . 71.12 107.879 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -50.34 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 71.23 109.253 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.5 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.1 mp -59.45 -49.19 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.51 109.282 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.571 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 11.3 m-85 -59.25 -50.22 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 65.12 110.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2105 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.52 -48.17 38.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 71.32 110.965 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.045 . . . . 75.2 109.567 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' 2074 ' ' TYR . 2.8 t -62.51 -56.61 16.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 70.04 109.243 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.753 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 36.8 m-85 -65.33 -28.23 69.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 74.14 111.001 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2109 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -25.34 57.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.383 1.052 . . . . 72.43 110.282 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -51.46 10.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.3 110.319 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 13.6 pt -44.71 -30.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 75.53 109.292 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 6.1 t -86.24 -54.58 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 53.32 109.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 72.12 109.246 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 71.53 110.26 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.585 0.231 . . . . 74.43 110.915 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -108.42 -10.85 15.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 70.05 110.299 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.58 -2.08 57.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.604 1.19 . . . . 65.1 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 3.8 mt -105.02 136.44 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 73.01 109.299 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 115.16 29.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 73.44 110.346 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.45 ' CG1' ' HD2' ' A' 2020 ' ' PRO . 80.0 t -118.72 142.12 31.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 75.42 109.359 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.45 ' HD2' ' CG1' ' A' 2019 ' ' VAL . 18.1 Cg_endo -74.96 -43.21 0.42 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.511 1.795 . . . . 74.04 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.413 ' CD1' ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -97.82 74.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 75.22 109.248 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.425 ' CD2' HG11 ' A' 2019 ' ' VAL . 0.1 OUTLIER -141.66 -159.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 74.21 109.31 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.532 ' CD2' ' HE2' ' A' 2058 ' ' MET . 4.9 m0 -69.89 -51.23 34.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 73.32 107.973 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.9 m80 -46.11 -23.21 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 74.13 109.613 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' 2029 ' ' GLU . 3.4 tt0 -70.41 -40.55 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 73.42 110.271 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.521 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -69.36 -32.37 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 73.24 110.962 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.599 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 61.2 m95 -68.2 -50.68 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.957 -1.127 . . . . 74.35 107.957 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.421 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -60.94 -53.17 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 74.53 109.695 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' 2025 ' ' GLU . 4.0 mm-40 -58.79 -44.92 90.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.22 110.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.464 ' CA ' HD22 ' A' 2054 ' ' LEU . . . -51.33 -63.78 4.36 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.462 1.101 . . . . 72.31 111.068 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.775 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 5.4 mt -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 0.702 . . . . 74.54 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -55.13 31.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 70.52 110.317 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.406 ' O ' HD11 ' A' 2037 ' ' LEU . 5.3 tt0 -72.73 -46.42 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 74.35 110.353 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.444 ' HB3' ' CB ' ' A' 2047 ' ' MET . . . -52.51 -48.96 65.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 73.11 109.283 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 84.0 p -62.12 -41.75 98.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 73.31 110.031 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -35.24 69.74 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.43 1.081 . . . . 72.41 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.499 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 1.5 mt -70.69 -45.63 64.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 74.32 109.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.415 ' HD2' ' CE1' ' A' 2039 ' ' PHE . 48.7 t80 -54.9 -55.54 29.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 74.21 111.078 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2039 ' ' PHE . . . . . 0.415 ' CE1' ' HD2' ' A' 2038 ' ' TYR . 31.5 m-85 -74.91 -31.42 61.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 74.22 110.998 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -47.49 -69.47 0.9 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.604 1.19 . . . . 63.41 110.99 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.438 ' CD ' ' ND2' ' A' 2043 ' ' ASN . 2.3 pt-20 -147.47 49.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 71.3 110.235 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 41.49 36.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 72.35 110.299 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.438 ' ND2' ' CD ' ' A' 2041 ' ' GLU . 61.3 m-20 -101.1 84.02 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 74.45 109.266 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' 2048 ' ' PHE . 41.8 t -64.15 -21.46 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.498 1.123 . . . . 73.22 109.282 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.29 -41.19 60.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.37 1.044 . . . . 73.21 109.249 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.499 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -52.83 -54.49 28.06 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 72.32 111.078 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.495 ' CE ' HG12 ' A' 2044 ' ' VAL . 10.6 tmm? -57.13 -51.82 67.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 74.13 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' 2044 ' ' VAL . 9.4 m-85 -51.42 -45.18 62.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 72.1 111.015 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 7.5 pt-20 -74.26 -15.09 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.14 110.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.576 ' C ' ' HD2' ' A' 2053 ' ' PRO . 46.1 t -85.64 -44.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.327 1.017 . . . . 72.31 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.569 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.3 OUTLIER -77.07 -42.54 37.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 73.31 109.276 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' A' 2048 ' ' PHE . 2.8 mt-10 -37.97 -55.15 2.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 73.43 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.1 Cg_endo -75.04 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.389 1.731 . . . . 64.24 110.981 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.51 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -47.77 -55.55 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.22 109.312 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 67.6 m170 -60.43 -52.57 64.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 62.21 109.653 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.12 -51.29 58.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 74.21 109.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.528 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.14 -38.56 39.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 75.14 110.977 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.532 ' HE2' ' CD2' ' A' 2023 ' ' TRP . 3.5 mmt -70.19 -30.5 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.387 1.054 . . . . 74.01 110.958 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.8 mt-10 -77.98 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 64.04 110.355 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' 2056 ' ' ALA . 9.7 ptm180 -72.57 -19.88 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 73.53 110.353 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.26 84.28 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 72.31 110.938 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.05 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.457 1.767 . . . . 65.35 110.968 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -68.41 0.33 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.566 1.166 . . . . 74.34 110.354 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' 2065 ' ' LEU . 1.4 t -175.21 174.18 2.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.451 1.095 . . . . 73.5 110.352 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.3 OUTLIER -57.49 -28.54 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 70.11 109.301 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 6.1 tptt -68.01 -35.61 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 74.11 109.335 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.6 -19.3 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 71.05 110.33 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 2.6 m -54.34 -36.29 63.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 71.04 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -37.03 86.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 72.41 110.084 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' 2071 ' ' ASN . 0.6 OUTLIER -71.18 -52.09 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.1 110.958 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.505 ' N ' ' CD1' ' A' 2070 ' ' PHE . 1.6 t-20 -54.08 -32.99 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 71.35 109.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -79.2 -42.31 26.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.54 110.222 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -49.08 -39.16 26.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 72.33 109.292 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' 2075 ' ' GLY . 54.5 m-85 -106.07 -18.02 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.52 110.977 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -36.7 -45.73 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 73.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -42.73 23.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 72.32 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.24 -60.91 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.23 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' 2082 ' ' GLN . 21.6 mt -51.88 -36.25 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 74.34 109.201 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -48.22 82.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 64.13 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.33 110.311 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' 2104 ' ' TYR . . . -53.53 -41.91 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 72.2 109.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2082 ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.3 tp60 -55.55 -43.27 75.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 73.51 110.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -35.84 81.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.34 110.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.6 ' CE3' ' NZ ' ' A' 2087 ' ' LYS . 91.4 m95 -64.7 -33.48 76.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.02 107.97 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 7.7 t -67.44 -56.62 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.04 108.236 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.14 -37.47 66.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 73.53 110.253 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.6 ' NZ ' ' CE3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -63.85 -40.86 97.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.15 109.335 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.581 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.5 OUTLIER -73.66 -37.8 65.17 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.536 1.147 . . . . 64.3 111.023 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.537 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 1.3 mtt -65.0 -33.43 76.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 64.35 111.035 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.0 -42.92 10.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.664 1.227 . . . . 74.11 109.192 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 2.7 t -83.42 -69.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 64.12 110.011 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.17 89.56 2.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 53.0 111.038 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -159.4 120.07 3.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.41 109.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -50.76 -39.45 18.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 72.25 109.303 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -51.63 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 72.54 109.33 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -36.92 85.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 74.01 109.215 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.581 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 0.8 OUTLIER -63.26 -48.56 77.65 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.5 1.125 . . . . 70.24 109.342 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 54.9 m -57.45 -41.39 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.1 110.439 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2099 ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.65 -45.41 94.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 53.13 110.228 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.56 82.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 71.22 109.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -30.39 71.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 75.25 107.961 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -50.57 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 74.3 109.324 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 10.7 mt -57.07 -45.46 83.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 74.2 109.334 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.568 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 15.8 m-85 -63.79 -46.77 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 73.32 111.043 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.489 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.51 -49.94 33.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 75.14 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -62.53 -43.55 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 73.43 109.665 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' 2074 ' ' TYR . 2.6 t -62.83 -56.94 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.418 1.074 . . . . 73.42 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.775 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 23.2 m-85 -64.09 -27.9 69.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 73.55 110.978 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' 2105 ' ' TYR . 14.9 ttm-85 -74.2 -25.73 59.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 73.35 110.353 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -52.01 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 62.35 110.272 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.512 HD13 ' CD2' ' A' 2027 ' ' TRP . 0.5 OUTLIER -56.48 -19.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 74.44 109.255 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -46.01 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 64.03 109.933 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2113 ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' 2114 ' ' GLN . 1.3 ttpt -50.14 137.91 16.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.32 109.25 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2114 ' ' GLN . . . . . 0.415 ' N ' ' HG3' ' A' 2113 ' ' LYS . 47.6 mt-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 64.02 110.377 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.6 mtm . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.417 0.151 . . . . 74.21 110.961 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -111.5 -8.99 14.23 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.568 1.168 . . . . 73.24 110.369 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -89.2 175.74 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 75.15 109.271 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 2.6 mm 61.96 148.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.065 . . . . 75.22 109.393 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -141.89 143.91 33.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 74.01 110.324 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.464 ' CG2' HG12 ' A' 2021 ' ' ILE . 0.2 OUTLIER -128.64 136.69 29.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 61.14 109.315 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -23.78 13.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.416 1.745 . . . . 73.21 110.99 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.464 HG12 ' CG2' ' A' 2019 ' ' VAL . 0.1 OUTLIER -105.67 93.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 74.11 109.353 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -170.16 -159.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.575 1.172 . . . . 73.22 109.327 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.596 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.4 m0 -71.56 -51.82 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 75.42 107.916 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.4 m80 -47.01 -24.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 70.41 109.554 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' 2023 ' ' TRP . 31.5 tt0 -70.73 -35.39 72.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 74.22 110.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -73.1 -32.57 65.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 72.44 110.968 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.499 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 62.6 m95 -69.03 -50.36 49.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.35 107.965 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.1 OUTLIER -55.64 -54.61 42.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 62.43 109.609 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.63 -43.95 87.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 73.52 110.323 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -55.31 -64.03 4.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 63.11 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.623 ' HB2' ' CE1' ' A' 2108 ' ' PHE . 5.3 tp -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 74.14 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' 2028 ' ' HIS . 4.7 mm-40 -54.19 -53.36 54.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 72.22 110.292 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -51.0 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 75.11 110.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2034 ' ' ALA . . . . . . . . . . . . . . . -54.15 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 73.05 109.281 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' 2031 ' ' LEU . 85.1 p -57.78 -48.97 78.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 64.44 110.062 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.502 ' O ' ' CA ' ' A' 2040 ' ' GLY . 1.2 ttt180 -52.74 -37.53 59.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 72.12 110.24 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.504 ' CD2' ' HB3' ' A' 2042 ' ' ARG . 6.6 mt -71.57 -33.62 69.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 75.53 109.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 20.4 t80 -78.9 -57.94 3.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.336 1.022 . . . . 73.12 110.952 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -76.13 -45.18 34.96 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.551 1.157 . . . . 72.33 110.953 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -77.26 -9.73 86.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 73.33 110.932 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' 2042 ' ' ARG . 6.3 tt0 61.17 142.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.5 0.764 . . . . 75.32 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.514 ' C ' ' CD ' ' A' 2042 ' ' ARG . 0.0 OUTLIER 174.31 -53.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 73.2 110.337 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' 2042 ' ' ARG . 3.5 t-20 170.95 104.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.536 1.148 . . . . 70.41 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.7 t -45.6 -31.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 72.42 109.275 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.504 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -52.16 -36.74 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.621 1.201 . . . . 74.41 109.393 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' 2045 ' ' LYS . . . -59.64 -53.83 42.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 71.54 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.529 ' HE1' ' CE1' ' A' 2048 ' ' PHE . 7.2 tmm? -52.25 -47.66 65.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 0.73 . . . . 74.41 111.039 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.657 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 13.9 m-85 -63.8 -36.0 82.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 73.33 110.999 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.545 ' O ' ' CD ' ' A' 2053 ' ' PRO . 1.8 mm-40 -74.22 -15.13 61.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 72.43 110.231 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.57 ' C ' ' HD2' ' A' 2053 ' ' PRO . 0.5 OUTLIER -83.82 -44.84 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 74.12 109.362 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.528 HD12 ' CG1' ' A' 2050 ' ' VAL . 0.4 OUTLIER -77.15 -45.93 25.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 75.34 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.1 OUTLIER -34.31 -54.62 0.88 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 65.33 110.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.57 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.02 -51.52 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 72.34 111.035 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.42 ' HB3' ' SD ' ' A' 2026 ' ' MET . 70.1 mt -50.05 -56.53 10.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.509 1.131 . . . . 75.03 109.341 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' 2051 ' ' LEU . 28.9 m170 -58.29 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 74.32 109.584 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.79 -48.45 63.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.517 1.136 . . . . 64.43 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.483 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.7 -37.86 52.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 75.42 111.013 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.596 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.3 OUTLIER -70.68 -35.33 72.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 64.11 110.956 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.4 mm-40 -69.02 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 74.54 110.366 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' 2056 ' ' ALA . 34.2 ptt180 -71.48 -34.54 70.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.36 1.038 . . . . 74.2 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.5 78.59 0.28 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 70.32 111.034 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.406 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.93 -94.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.783 . . . . 71.23 111.015 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.473 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.8 OUTLIER 176.09 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 70.25 110.32 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' 2065 ' ' LEU . 3.0 t -176.65 176.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 72.32 110.361 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.422 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.2 OUTLIER -48.6 -26.22 2.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 74.14 109.293 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -52.36 26.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 73.34 109.353 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.473 ' HG3' ' CB ' ' A' 2063 ' ' GLN . 23.3 mm-40 -72.91 -19.83 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 62.33 110.269 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.8 m -54.09 -34.58 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 54.0 110.427 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -34.98 63.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.066 . . . . 74.45 109.957 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.642 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 4.4 t80 -66.6 -54.24 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 75.32 110.968 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 2075 ' ' GLY . 5.6 t-20 -56.86 -30.34 63.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 74.54 109.311 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.55 -35.54 63.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 71.45 110.304 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.75 77.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 72.43 109.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.642 ' CE2' ' CE1' ' A' 2070 ' ' PHE . 27.3 m-85 -93.75 -19.94 20.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 74.42 111.028 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.42 -40.92 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 70.51 110.983 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -80.92 -55.49 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.383 0.696 . . . . 74.3 110.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.33 -59.5 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 74.14 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.19 -37.14 53.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.03 109.346 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2079 ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -55.92 -48.01 76.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 71.34 111.012 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.52 -54.8 30.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 1.163 . . . . 71.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.487 ' CA ' HD12 ' A' 2103 ' ' LEU . . . -58.25 -41.36 84.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 71.24 109.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -34.19 73.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.487 1.117 . . . . 75.52 110.294 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -70.67 -38.14 73.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.33 110.412 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.0 m95 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 75.33 107.957 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 17.2 m -75.06 -58.59 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 73.34 108.215 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.531 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 3.4 ptt85 -66.29 -27.47 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 74.12 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.56 -48.35 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 70.35 109.277 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.534 ' CZ ' HD22 ' A' 2097 ' ' LEU . 6.0 t80 -67.31 -34.59 77.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 61.24 111.018 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.633 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -69.73 -35.91 75.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 74.02 110.918 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -68.04 -58.16 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 71.44 109.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.22 67.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.41 109.97 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -114.76 -141.3 7.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.409 1.068 . . . . 73.24 111.035 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.13 162.92 36.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 74.43 109.236 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.46 -42.31 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 74.24 109.338 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2095 ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -49.76 -34.13 18.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 73.52 109.283 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' 2095 ' ' LYS . 12.9 m-20 -75.93 -43.72 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 70.2 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.534 HD22 ' CZ ' ' A' 2088 ' ' TYR . 2.5 tp -60.68 -44.21 96.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.14 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -64.41 -44.14 92.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 71.12 110.383 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -54.91 -44.39 74.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 75.22 110.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2100 ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' 2104 ' ' TYR . . . -63.84 -43.39 96.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 72.21 109.309 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.506 ' CH2' HD12 ' A' 2031 ' ' LEU . 1.1 m95 -59.8 -31.62 69.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 70.53 107.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -51.06 48.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 72.52 109.338 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.487 HD12 ' CA ' ' A' 2081 ' ' ALA . 17.4 mt -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.341 1.026 . . . . 65.42 109.305 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.457 ' O ' HG22 ' A' 2107 ' ' VAL . 3.3 m-85 -57.41 -56.19 25.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.19 . . . . 73.14 110.973 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.549 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.84 -37.01 18.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 74.32 110.923 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -55.54 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.43 1.081 . . . . 70.34 109.612 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' 2104 ' ' TYR . 1.5 m -66.78 -45.92 86.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 75.01 109.339 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.623 ' CE1' ' HB2' ' A' 2031 ' ' LEU . 11.2 m-85 -63.09 -30.31 71.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 75.24 111.015 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' 2105 ' ' TYR . 3.5 ttt180 -80.04 -29.04 39.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 74.41 110.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -70.75 -52.32 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 74.12 110.319 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.534 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 5.6 pt -44.09 -34.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 75.21 109.334 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.4 m -84.41 -54.56 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 71.34 110.012 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.36 114.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 74.44 109.215 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.185 . . . . 75.3 110.251 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 11.2 mtm . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.442 0.163 . . . . 70.42 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.0 -24.53 11.17 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.589 1.18 . . . . 74.52 110.224 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 43.73 46.72 6.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.61 1.194 . . . . 74.13 109.346 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 1.6 mm -119.33 140.37 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.607 1.192 . . . . 71.34 109.361 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -161.86 103.64 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 62.41 110.326 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' 2020 ' ' PRO . 0.2 OUTLIER -124.67 137.61 29.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 74.31 109.292 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' 2021 ' ' ILE . 18.1 Cg_endo -75.05 -26.87 10.42 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.528 1.804 . . . . 62.52 111.008 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -111.11 95.36 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.567 1.167 . . . . 74.05 109.268 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.424 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.1 OUTLIER 179.91 177.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.397 1.061 . . . . 74.03 109.425 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.543 ' CG ' ' HE2' ' A' 2058 ' ' MET . 9.7 m0 -50.15 -48.32 53.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.989 -1.115 . . . . 74.44 107.989 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.628 ' NE2' ' CZ ' ' A' 2070 ' ' PHE . 7.4 m80 -48.35 -25.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 64.41 109.647 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' A' 2022 ' ' LEU . 55.6 tt0 -70.62 -33.32 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.053 . . . . 52.31 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.489 ' SD ' ' CD2' ' A' 2054 ' ' LEU . 0.0 OUTLIER -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 73.22 110.998 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.611 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 63.4 m95 -70.92 -51.6 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 73.42 108.063 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.435 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.2 OUTLIER -58.79 -58.85 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 71.35 109.65 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 5.4 pt-20 -59.94 -29.79 68.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 75.31 110.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.45 -64.53 4.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 72.54 110.959 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.753 ' HG ' ' CE2' ' A' 2108 ' ' PHE . 71.6 mt -63.66 -31.9 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 0.721 . . . . 64.21 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' 2028 ' ' HIS . 2.3 mm-40 -52.14 -51.55 57.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.383 1.052 . . . . 72.15 110.353 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.49 -49.16 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 73.34 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -51.98 -48.91 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.607 1.192 . . . . 65.35 109.367 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' 2031 ' ' LEU . 13.0 t -67.66 -41.71 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 71.21 109.992 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' 2032 ' ' GLU . 0.0 OUTLIER -50.32 -52.42 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 72.13 110.296 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.539 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 4.2 pp -71.46 -39.82 70.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 74.43 109.242 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.484 ' N ' HD13 ' A' 2037 ' ' LEU . 36.9 t80 -53.39 -55.08 27.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 71.11 110.948 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2039 ' ' PHE . . . . . 0.407 ' CE1' ' HD2' ' A' 2038 ' ' TYR . 19.5 m-85 -74.01 -33.28 63.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 72.22 111.065 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -68.57 -60.58 5.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 74.42 111.063 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -121.84 143.92 49.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.619 0.835 . . . . 64.43 110.372 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 57.5 mmt-85 -71.33 58.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 65.11 110.334 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -130.38 90.72 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.25 109.245 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.593 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 48.7 t -66.94 -21.16 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 74.51 109.344 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -39.06 56.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.426 1.079 . . . . 73.24 109.247 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.539 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -53.4 -53.43 35.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 70.43 111.032 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.548 ' SD ' ' NE1' ' A' 2101 ' ' TRP . 27.5 ttp -61.35 -43.45 98.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 64.23 111.092 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.656 ' CD2' ' CE ' ' A' 2089 ' ' MET . 8.1 m-85 -61.89 -42.1 98.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 74.45 110.988 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.57 ' O ' ' CD ' ' A' 2053 ' ' PRO . 12.1 pt-20 -75.87 -13.24 60.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 75.3 110.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.562 ' C ' ' HD2' ' A' 2053 ' ' PRO . 20.4 t -83.1 -44.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.445 1.091 . . . . 74.15 109.318 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.619 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.86 -46.03 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 73.22 109.303 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.15 -55.48 0.81 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 72.01 110.297 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.57 ' CD ' ' O ' ' A' 2049 ' ' GLU . 17.7 Cg_endo -75.13 -50.58 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.543 1.812 . . . . 65.42 110.962 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.489 ' CD2' ' SD ' ' A' 2026 ' ' MET . 14.9 mt -49.19 -56.93 7.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 74.5 109.357 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' 2051 ' ' LEU . 40.5 m170 -59.49 -52.16 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 74.11 109.623 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.15 -48.14 61.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 73.24 109.26 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 73.54 111.011 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.543 ' HE2' ' CG ' ' A' 2023 ' ' TRP . 0.6 OUTLIER -68.61 -33.5 74.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 74.21 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.4 mm-40 -71.77 -63.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 74.31 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.2 ptt85 -72.81 -16.68 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 74.43 110.235 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' 2057 ' ' MET . . . -119.06 76.11 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.557 1.16 . . . . 71.32 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -74.95 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.467 1.772 . . . . 75.34 111.032 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.454 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 1.7 tt0 -147.56 -70.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.33 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 4.1 t -172.66 170.85 4.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 71.04 110.433 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' 2068 ' ' THR . 3.1 mm? -55.98 -27.65 53.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 75.31 109.331 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -68.18 -34.75 76.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 75.33 109.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 2.1 tp10 -84.59 -22.49 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 75.35 110.31 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.3 m -54.44 -45.04 72.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 73.11 110.413 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2069 ' ' SER . . . . . 0.423 ' HA ' ' NE2' ' A' 2072 ' ' GLN . 0.6 OUTLIER -53.42 -34.8 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 71.21 109.984 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.628 ' CZ ' ' NE2' ' A' 2024 ' ' HIS . 0.9 OUTLIER -74.27 -53.29 10.03 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 74.35 110.98 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' 2075 ' ' GLY . 14.1 t30 -60.83 -32.89 72.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 60.24 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2072 ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' 2069 ' ' SER . 3.1 pt20 -79.93 -39.8 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.497 1.123 . . . . 74.41 110.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.35 -28.41 7.92 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 1.121 . . . . 72.44 109.316 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.559 ' CD1' HG12 ' A' 2107 ' ' VAL . 52.3 m-85 -116.17 -22.99 8.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 64.31 111.043 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.43 -33.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.593 1.183 . . . . 61.54 111.123 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2076 ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.4 tpt180 -80.12 -51.25 9.23 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.527 0.781 . . . . 74.12 110.363 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.2 m-20 -57.64 -50.99 71.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 73.33 109.341 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 36.1 mt -52.6 -33.75 47.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 75.53 109.418 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -48.58 63.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 72.11 111.007 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 10.8 tt0 -60.24 -57.93 10.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 64.34 110.317 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.06 -42.12 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 75.33 109.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -41.01 79.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.414 1.071 . . . . 71.41 110.287 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.542 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -63.13 -38.26 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 72.32 110.394 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 95.2 m95 -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 75.45 107.992 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 70.8 m -74.62 -59.54 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 62.14 108.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.542 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 7.5 ptt180 -62.83 -33.63 75.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 73.33 110.291 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -66.71 -42.22 86.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 72.43 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.569 ' CE2' HD13 ' A' 2097 ' ' LEU . 0.8 OUTLIER -71.86 -39.44 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 73.14 111.025 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.656 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.5 mtt -60.52 -41.82 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.3 111.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -48.8 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 74.53 109.314 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 6.7 t -72.66 -70.8 0.33 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 63.42 109.972 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.78 92.85 2.23 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.574 1.171 . . . . 73.33 110.972 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -163.89 108.14 1.0 Allowed 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.551 0.795 . . . . 75.52 109.271 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.3 t -46.87 -39.38 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.23 109.329 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.7 tttp -49.11 -47.01 45.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 72.32 109.302 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.71 -32.1 72.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 70.1 109.357 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' 2088 ' ' TYR . 0.8 OUTLIER -69.55 -47.62 63.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 75.03 109.337 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.4 m -59.74 -39.23 84.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 73.15 110.39 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.73 -46.7 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 74.24 110.204 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.03 96.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 73.41 109.272 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.581 ' CZ3' HD23 ' A' 2031 ' ' LEU . 0.0 OUTLIER -61.05 -34.95 75.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 72.55 108.017 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -47.7 78.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 54.45 109.396 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 3.9 mp -56.45 -53.61 55.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 73.4 109.255 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -57.32 -49.83 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 63.34 111.008 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.53 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -48.24 -48.83 34.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 74.01 110.987 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.41 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.31 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' 2074 ' ' TYR . 3.8 t -64.26 -57.78 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 74.33 109.266 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.753 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 22.6 m-85 -64.17 -27.76 69.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.362 1.039 . . . . 73.34 111.017 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' 2105 ' ' TYR . 8.7 ttt180 -74.11 -32.04 63.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 70.14 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -51.71 24.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 73.54 110.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.557 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -45.36 -31.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.44 109.328 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 12.7 p -86.41 -52.01 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 75.11 109.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 135.23 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 72.12 109.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 74.24 110.315 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.411 0.148 . . . . 70.52 110.948 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2015 ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' 2016 ' ' LEU . 21.7 mm-40 -114.88 -14.06 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 75.03 110.368 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' 2018 ' ' ARG . 0.1 OUTLIER 80.88 121.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 73.54 109.303 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 1.4 mt 66.39 -77.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 71.32 109.261 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' 2016 ' ' LEU . 0.8 OUTLIER -43.86 110.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 64.44 110.343 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' 2018 ' ' ARG . 53.8 t -40.15 136.94 1.29 Allowed Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.495 1.122 . . . . 74.34 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 2019 ' ' VAL . 18.2 Cg_endo -75.06 -39.27 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.476 1.777 . . . . 64.43 110.936 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 7.6 mt -97.42 60.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 73.43 109.453 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.416 HD13 ' CE1' ' A' 2024 ' ' HIS . 0.1 OUTLIER -145.7 150.4 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 75.15 109.311 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.544 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.9 m0 -62.99 -51.82 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.035 -1.098 . . . . 73.31 108.035 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.416 ' CE1' HD13 ' A' 2022 ' ' LEU . 1.6 m80 -46.01 -22.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 72.04 109.489 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -69.81 -40.3 76.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 75.21 110.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.74 -33.55 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 74.44 111.023 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 67.0 m95 -67.13 -49.18 65.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.91 -1.144 . . . . 75.41 107.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -64.21 -47.55 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 71.55 109.741 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' 2025 ' ' GLU . 2.0 tt0 -65.91 -38.75 89.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 71.33 110.351 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -56.65 -63.2 5.53 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 75.52 110.994 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.767 ' CD2' ' CE2' ' A' 2108 ' ' PHE . 4.2 mt -59.27 -32.32 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 0.716 . . . . 75.33 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' 2036 ' ' ARG . 2.1 mm-40 -53.5 -52.61 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 75.34 110.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -79.52 -49.7 11.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 62.21 110.284 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.511 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -52.21 -49.96 62.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 64.13 109.208 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.3 p -68.28 -43.98 76.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 70.44 109.9 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' 2032 ' ' GLU . 1.5 mtp85 -53.72 -52.08 61.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 75.34 110.289 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' 2041 ' ' GLU . 4.3 pp -69.29 -40.8 77.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 75.5 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.439 ' N ' HD13 ' A' 2037 ' ' LEU . 61.8 t80 -53.76 -55.28 27.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.113 . . . . 74.33 110.984 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -75.24 -40.61 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 75.34 110.922 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -65.74 -25.15 71.64 Favored Glycine 0 CA--C 1.528 0.855 0 O-C-N 124.578 1.174 . . . . 75.32 111.033 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' 2037 ' ' LEU . 8.9 tp10 -155.55 140.43 17.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.433 0.725 . . . . 74.04 110.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -73.01 57.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 74.34 110.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -125.32 71.7 1.22 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.525 1.141 . . . . 73.33 109.298 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.588 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 37.5 t -54.29 -24.98 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 73.04 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.46 -43.21 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.44 109.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -53.44 -54.15 31.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.606 1.191 . . . . 64.23 111.023 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.511 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 8.6 tmm? -54.16 -47.61 71.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 0.719 . . . . 74.25 111.05 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.588 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 10.1 m-85 -63.46 -34.4 77.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 75.32 111.05 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.3 mm-40 -75.77 -15.98 60.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 64.34 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.582 ' C ' ' HD2' ' A' 2053 ' ' PRO . 0.6 OUTLIER -84.08 -42.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 73.21 109.397 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.531 HD11 ' CG1' ' A' 2050 ' ' VAL . 0.4 OUTLIER -77.18 -46.87 21.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.43 109.351 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -33.92 -54.43 0.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 71.53 110.336 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.582 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 73.32 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.453 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -49.52 -55.99 11.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 74.44 109.343 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 44.2 m170 -57.56 -53.08 62.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 63.33 109.5 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.18 -50.47 61.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.423 1.077 . . . . 74.04 109.253 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.99 -36.2 37.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 74.21 111.052 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.544 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -71.1 -33.77 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.55 110.984 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.0 mm-40 -72.84 -63.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 73.22 110.221 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' 2056 ' ' ALA . 5.8 ptm180 -72.66 -24.34 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 75.31 110.297 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.29 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 64.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 73.02 110.963 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.04 -70.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 75.33 110.237 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.2 t -170.51 174.31 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 75.04 110.504 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -28.97 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 74.51 109.311 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -69.69 -34.79 74.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 74.23 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.15 -18.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 1.055 . . . . 63.13 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 30.3 m -54.59 -33.26 60.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 71.44 110.338 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -35.93 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.43 109.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 18.1 t80 -63.81 -52.98 57.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.52 111.01 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 2.3 t-20 -64.24 -28.79 69.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 64.35 109.402 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -77.41 -54.6 6.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.41 110.312 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.2 -52.81 4.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.24 109.379 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.6 m-85 -90.68 -14.99 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.593 1.183 . . . . 75.14 110.999 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.38 -44.33 2.26 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.526 1.141 . . . . 54.35 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -49.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.62 0.835 . . . . 75.25 110.341 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.54 -55.68 17.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 51.22 109.324 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.71 -37.82 59.73 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 75.53 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -46.61 89.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.15 110.917 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.505 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 21.5 tt0 -62.28 -54.28 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.42 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.419 ' HB1' ' CE1' ' A' 2104 ' ' TYR . . . -53.93 -40.65 66.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 64.1 109.352 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2082 ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.8 OUTLIER -60.55 -39.49 88.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 72.05 110.256 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.494 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 74.53 110.226 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.402 ' HA ' ' HB2' ' A' 2087 ' ' LYS . 98.4 m95 -75.58 -23.92 56.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 75.42 107.992 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 42.7 t -66.64 -58.54 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 75.54 108.225 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.494 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.1 OUTLIER -62.52 -28.98 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.01 110.278 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.485 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -60.62 -50.5 73.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 75.34 109.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.563 ' CE2' HD22 ' A' 2097 ' ' LEU . 0.6 OUTLIER -70.91 -46.77 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.3 110.964 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.516 ' HE1' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -56.9 -32.29 65.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 74.03 111.008 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.9 tptm -92.01 -56.83 2.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 74.31 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' 2087 ' ' LYS . 4.7 t -70.2 -64.42 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 75.22 109.96 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.31 81.4 1.53 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.48 1.113 . . . . 74.21 111.094 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.37 120.35 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 74.01 109.325 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -56.82 -29.78 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.22 109.417 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.47 -49.04 78.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 74.1 109.305 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -39.85 80.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 53.23 109.338 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.563 HD22 ' CE2' ' A' 2088 ' ' TYR . 0.2 OUTLIER -63.27 -48.39 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 74.41 109.37 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -58.25 -41.73 84.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 73.24 110.327 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -50.66 72.95 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 65.4 110.2 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.59 78.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 73.44 109.376 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.444 ' CZ2' ' HG3' ' A' 2047 ' ' MET . 0.0 OUTLIER -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 72.24 108.057 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -51.11 71.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 75.43 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.5 mp -54.14 -54.21 42.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 71.13 109.357 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.419 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 14.8 m-85 -54.03 -55.68 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 73.12 111.094 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.97 -36.49 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 74.34 111.027 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2106 ' ' HIS . . . . . 0.473 ' O ' ' HG2' ' A' 2109 ' ' ARG . 47.9 t-80 -63.47 -45.59 90.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 75.42 109.635 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -77.21 -35.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 73.33 109.31 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.767 ' CE2' ' CD2' ' A' 2031 ' ' LEU . 10.1 m-85 -72.1 -31.7 66.29 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.536 1.148 . . . . 73.41 111.001 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' 2105 ' ' TYR . 6.9 ptp180 -79.43 -31.17 42.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.585 1.178 . . . . 64.14 110.273 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2110 ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' 2109 ' ' ARG . 24.7 tpt180 -70.29 -50.41 39.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 71.54 110.246 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.495 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 11.8 pt -43.24 -30.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 73.13 109.261 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 22.7 t -91.98 -56.81 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 71.23 109.978 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.2 tptp -42.01 138.92 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 74.05 109.279 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 65.14 110.241 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.54 0.209 . . . . 74.25 110.959 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.36 -2.98 15.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 73.24 110.348 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' 2016 ' ' LEU . 0.2 OUTLIER 57.85 -114.4 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 74.42 109.329 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' 2018 ' ' ARG . 0.4 OUTLIER -48.07 174.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 71.21 109.306 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.4 ' N ' ' CG2' ' A' 2017 ' ' ILE . 2.2 mmt-85 -136.92 98.98 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 75.31 110.234 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 2.4 p -43.12 139.73 2.2 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.516 1.135 . . . . 73.04 109.264 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' 2022 ' ' LEU . 18.5 Cg_endo -74.99 -82.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.364 1.718 . . . . 75.21 110.93 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.46 ' O ' ' CD2' ' A' 2022 ' ' LEU . 1.6 pp -49.14 91.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 71.14 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' 2020 ' ' PRO . 0.2 OUTLIER -162.73 -159.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.43 109.309 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.563 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.6 m0 -70.28 -50.83 35.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.979 -1.119 . . . . 74.12 107.979 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.18 -22.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.25 109.555 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.4 OUTLIER -70.11 -36.37 74.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 74.2 110.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.506 ' HG2' ' CE ' ' A' 2058 ' ' MET . 0.0 OUTLIER -75.73 -32.92 60.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 75.24 110.978 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.622 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 63.8 m95 -68.01 -44.01 77.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 73.43 108.019 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -65.07 -59.3 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 72.11 109.616 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.418 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.5 OUTLIER -61.02 -35.95 78.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.24 110.258 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' 2026 ' ' MET . . . -55.44 -62.64 6.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 63.44 110.993 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.767 ' CD2' ' CE2' ' A' 2108 ' ' PHE . 5.9 mt -58.72 -30.95 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 71.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.01 -49.24 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 53.45 110.29 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.489 ' N ' ' HG2' ' A' 2032 ' ' GLU . 1.1 tt0 -79.1 -45.0 20.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 71.13 110.237 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.46 ' HB2' ' CG ' ' A' 2047 ' ' MET . . . -58.14 -47.09 84.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 64.43 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.5 p -65.94 -39.94 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 75.5 109.982 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' 2040 ' ' GLY . 6.7 mtt-85 -56.87 -41.69 78.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 75.04 110.195 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' 2041 ' ' GLU . 1.1 mt -71.73 -35.01 70.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 75.23 109.26 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.89 -56.13 5.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.627 1.204 . . . . 72.23 110.993 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -74.19 -46.27 43.06 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.47 1.106 . . . . 72.51 110.949 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -63.72 -59.64 8.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.146 . . . . 35.13 110.954 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' 2037 ' ' LEU . 5.9 mm-40 -116.71 -170.42 1.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 0.801 . . . . 71.21 110.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.48 22.83 12.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 74.23 110.339 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 8.5 m120 -96.37 79.33 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 73.22 109.36 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.574 HG11 ' CD2' ' A' 2048 ' ' PHE . 38.2 t -57.14 -21.7 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.3 109.332 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.527 ' HD3' ' HE2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -53.53 -40.24 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 73.31 109.343 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -53.81 -56.03 22.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.465 1.103 . . . . 53.42 111.048 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.521 ' CE ' HG12 ' A' 2044 ' ' VAL . 8.8 tmm? -55.99 -43.16 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 0.803 . . . . 74.51 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.574 ' CD2' HG11 ' A' 2044 ' ' VAL . 7.2 m-85 -62.78 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 74.15 111.072 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.576 ' O ' ' CD ' ' A' 2053 ' ' PRO . 15.8 mt-10 -75.74 -13.43 60.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 72.01 110.291 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.549 ' C ' ' HD2' ' A' 2053 ' ' PRO . 25.6 t -82.55 -46.85 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 74.44 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.82 -44.76 31.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 75.54 109.193 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.3 OUTLIER -34.08 -56.15 0.75 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 73.12 110.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.576 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.99 -52.02 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.53 1.805 . . . . 75.11 110.974 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.432 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -49.12 -57.37 6.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.167 . . . . 75.14 109.386 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' 2051 ' ' LEU . 9.1 m170 -60.05 -52.66 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 63.44 109.627 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' 2052 ' ' GLU . . . -49.43 -50.72 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 71.02 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.47 ' HE3' ' CE ' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.79 -38.76 56.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 64.42 111.001 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.563 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.0 OUTLIER -66.52 -37.22 84.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 75.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.2 mm-40 -69.85 -64.02 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 64.21 110.244 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.7 OUTLIER -65.49 -35.0 79.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 75.21 110.334 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' 2057 ' ' MET . . . -124.08 81.1 0.35 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.572 1.17 . . . . 75.11 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.451 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.2 Cg_endo -74.99 -93.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 73.53 110.969 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.434 ' CB ' ' HB2' ' A' 2067 ' ' GLU . 0.2 OUTLIER 176.77 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 72.42 110.412 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.465 ' OG1' ' N ' ' A' 2065 ' ' LEU . 6.1 t -167.17 -171.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 65.24 110.315 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.465 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.0 OUTLIER -61.1 -26.92 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 73.34 109.298 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 13.0 tttt -68.98 -49.61 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 71.55 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.434 ' HB2' ' CB ' ' A' 2063 ' ' GLN . 2.4 mm-40 -75.43 -20.04 59.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.44 110.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.2 m -53.51 -27.34 25.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.01 110.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -40.58 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 72.54 110.063 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.41 ' CE2' ' HE2' ' A' 2074 ' ' TYR . 27.6 t80 -63.49 -51.25 66.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 73.21 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 34.8 t30 -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.516 1.135 . . . . 63.44 109.231 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -78.18 -52.89 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 71.24 110.332 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.63 5.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.478 1.111 . . . . 73.24 109.366 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.58 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.1 m-85 -95.09 -15.07 23.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.371 1.044 . . . . 74.12 111.112 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.51 -40.86 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.569 1.168 . . . . 72.44 111.02 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -51.75 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 74.12 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.99 -56.9 10.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 73.2 109.337 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.456 HD23 ' CE1' ' A' 2104 ' ' TYR . 15.1 mt -52.4 -40.19 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.4 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 13.5 ttm -56.22 -46.46 79.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.127 . . . . 71.02 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 12.6 tt0 -62.71 -56.06 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.362 1.039 . . . . 70.52 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' 2104 ' ' TYR . . . -52.93 -42.37 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 75.05 109.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.51 -42.48 82.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 63.15 110.178 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 62.33 110.208 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.536 ' CE2' ' OE1' ' A' 2099 ' ' GLN . 97.3 m95 -68.53 -33.52 74.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.991 -1.115 . . . . 74.31 107.991 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 67.6 m -65.08 -55.55 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 74.33 108.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -54.67 -36.88 65.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 72.41 110.359 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.414 ' NZ ' ' CE3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -63.26 -42.62 99.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 75.12 109.286 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.751 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 74.7 t80 -70.51 -48.06 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 61.34 110.966 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.513 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -57.91 -36.4 72.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 74.34 110.917 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -58.81 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 54.42 109.334 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.66 57.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 64.31 109.967 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' 2088 ' ' TYR . . . -97.64 -151.28 27.39 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.557 1.161 . . . . 75.31 111.094 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.02 168.64 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 75.41 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -40.44 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 72.51 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.86 -48.63 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 72.32 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.751 ' HD2' ' HB2' ' A' 2088 ' ' TYR . 0.0 OUTLIER -66.06 -41.23 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.22 109.308 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.554 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 8.0 tp -56.83 -42.98 80.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 74.41 109.281 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.3 m -64.79 -45.37 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 74.41 110.472 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2099 ' ' GLN . . . . . 0.536 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -51.28 -52.75 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 64.25 110.259 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.63 79.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 73.34 109.346 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.68 82.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.34 108.015 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -51.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.075 . . . . 74.44 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 5.3 mp -56.84 -52.9 63.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.42 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' 2081 ' ' ALA . 3.5 m-30 -54.23 -56.05 22.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 75.14 111.01 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.91 -38.14 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.52 110.974 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2106 ' ' HIS . . . . . 0.466 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.8 m170 -61.66 -45.84 92.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 74.4 109.662 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.58 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -75.86 -35.15 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 75.41 109.342 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.767 ' CE2' ' CD2' ' A' 2031 ' ' LEU . 8.9 m-85 -73.04 -31.88 64.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 74.45 111.012 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -79.78 -25.63 40.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 75.12 110.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2110 ' ' ARG . . . . . 0.497 ' N ' ' HG3' ' A' 2109 ' ' ARG . 2.1 mmm180 -75.44 -50.25 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 75.11 110.306 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 7.9 pt -42.09 -37.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 61.55 109.276 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 66.4 p -81.85 -45.86 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 63.03 109.961 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 139.5 41.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 71.54 109.244 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 71.1 110.27 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.557 0.218 . . . . 71.43 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -108.95 -14.2 14.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 72.21 110.264 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 74.04 13.99 3.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 73.22 109.359 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 15.8 mm -111.1 -81.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.53 1.144 . . . . 74.25 109.358 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' 2019 ' ' VAL . 0.2 OUTLIER -47.52 146.26 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 75.32 110.289 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.527 ' O ' ' CD1' ' A' 2022 ' ' LEU . 0.2 OUTLIER -38.9 137.67 0.87 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 75.43 109.254 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -24.87 12.44 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.448 1.762 . . . . 74.3 111.03 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.411 ' C ' HD12 ' A' 2022 ' ' LEU . 22.8 mm -102.95 98.47 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 71.41 109.318 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.706 ' CD1' ' N ' ' A' 2022 ' ' LEU . 0.0 OUTLIER -175.8 159.09 2.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.163 . . . . 74.32 109.328 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.579 ' CD2' ' HE2' ' A' 2058 ' ' MET . 17.0 m0 -81.15 -39.72 25.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.955 -1.128 . . . . 73.44 107.955 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.511 ' HB2' ' CD2' ' A' 2022 ' ' LEU . 3.3 m80 -44.57 -23.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 75.32 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.547 ' HB2' ' CD1' ' A' 2022 ' ' LEU . 0.9 OUTLIER -68.07 -40.93 82.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 70.55 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -71.64 -31.28 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 72.14 110.998 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.489 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 78.2 m95 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 75.44 107.998 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.4 OUTLIER -56.88 -59.06 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 73.41 109.625 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.47 ' N ' ' CD2' ' A' 2028 ' ' HIS . 4.8 pt-20 -63.64 -40.43 96.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 74.3 110.303 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -56.12 -63.61 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 72.23 110.956 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.612 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 5.1 tp -57.7 -32.16 67.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.545 0.791 . . . . 72.55 109.243 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.72 -53.26 57.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 72.11 110.279 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.73 48.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 64.03 110.343 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.06 -49.27 69.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.143 . . . . 42.02 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' 2031 ' ' LEU . 7.6 m -56.56 -45.97 80.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 74.31 109.864 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -59.44 -34.29 72.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 73.4 110.317 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' 2034 ' ' ALA . 3.0 mt -70.33 -34.04 72.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.591 1.182 . . . . 71.41 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 81.5 t80 -82.98 -54.49 5.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 74.13 110.978 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -73.39 -46.89 46.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 73.03 111.041 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -66.91 -58.4 8.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.539 1.149 . . . . 71.22 111.032 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -114.35 -173.35 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 73.42 110.289 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -116.23 28.44 8.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 75.22 110.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -96.24 90.25 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.43 109.328 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.724 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 4.3 t -65.71 -10.55 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 64.32 109.402 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.47 -40.24 67.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 71.04 109.277 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.421 ' O ' ' CG2' ' A' 2050 ' ' VAL . . . -57.55 -56.56 24.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.445 1.091 . . . . 72.22 110.977 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.85 -46.93 81.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 74.45 110.948 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.724 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.7 m-85 -68.19 -37.1 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.21 110.997 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 5.5 mm-40 -75.45 -13.68 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 75.12 110.285 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.569 ' C ' ' HD2' ' A' 2053 ' ' PRO . 21.6 t -84.56 -44.06 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 75.23 109.244 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.623 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -46.38 26.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 73.1 109.332 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.463 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.2 mt-10 -34.93 -55.45 0.95 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.4 110.32 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.569 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.98 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.481 1.779 . . . . 75.44 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.497 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 16.8 mt -48.39 -56.7 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 70.51 109.247 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 36.3 m170 -59.18 -52.31 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.21 109.565 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.27 -47.21 62.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 62.51 109.27 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.517 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.7 -38.72 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 73.04 111.057 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.579 ' HE2' ' CD2' ' A' 2023 ' ' TRP . 0.4 OUTLIER -70.41 -33.08 70.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.19 . . . . 74.14 110.996 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.1 mm-40 -71.67 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 75.42 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -22.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 75.3 110.349 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.33 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 73.44 111.039 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 73.54 111.133 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.467 ' O ' ' CG2' ' A' 2064 ' ' THR . 1.3 tp60 -145.71 -72.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 74.2 110.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' 2063 ' ' GLN . 21.0 p -156.08 161.06 40.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 63.2 110.384 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -27.32 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.626 1.204 . . . . 73.55 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -50.95 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.156 . . . . 73.35 109.265 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.53 -23.53 63.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 64.14 110.239 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.7 m -55.35 -41.58 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 1.208 . . . . 73.1 110.351 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.4 m -64.74 -50.59 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 72.21 110.063 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.413 ' HE1' ' CD2' ' A' 2074 ' ' TYR . 0.5 OUTLIER -58.8 -43.32 90.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.25 110.975 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2075 ' ' GLY . 41.7 t30 -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.11 109.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -78.1 -54.94 5.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 74.41 110.291 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.36 -33.17 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 73.43 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.458 ' CD2' HG13 ' A' 2107 ' ' VAL . 2.5 m-30 -96.48 -24.22 16.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 74.44 110.979 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.34 -42.99 5.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 75.12 110.925 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -45.92 59.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 0.766 . . . . 74.22 110.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.54 -51.1 68.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 74.31 109.363 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2078 ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.54 -33.45 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 64.41 109.334 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 mtp -67.48 -44.73 77.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.545 1.153 . . . . 73.41 111.0 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.498 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 17.9 tt0 -60.16 -58.55 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 74.53 110.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.572 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -53.59 -41.1 66.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 72.41 109.313 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -57.8 -39.65 78.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 73.23 110.331 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.536 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -66.13 -36.57 83.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 55.5 110.331 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.8 m95 -73.09 -23.76 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 75.23 107.944 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.8 t -72.03 -58.56 3.34 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.57 1.169 . . . . 74.34 108.209 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.536 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 2.2 ptm180 -67.08 -27.83 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 74.41 110.275 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -71.81 -37.17 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 73.21 109.239 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.535 ' CZ ' HD21 ' A' 2097 ' ' LEU . 10.1 t80 -79.41 -45.0 20.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 74.14 110.98 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.0 mtt -61.59 -38.2 86.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 74.11 111.034 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.477 ' HD2' ' O ' ' A' 2090 ' ' LYS . 11.5 tptm -64.92 -58.99 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 73.43 109.235 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.22 78.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.138 . . . . 71.03 109.965 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -133.06 -141.8 4.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 62.11 110.999 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -149.23 157.95 43.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 74.41 109.307 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -35.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 74.42 109.204 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -49.01 -48.1 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 75.35 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -67.02 -39.01 86.96 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.435 1.084 . . . . 65.21 109.343 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.535 HD21 ' CZ ' ' A' 2088 ' ' TYR . 4.2 tp -62.73 -46.66 87.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 72.34 109.226 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.4 m -59.32 -42.66 91.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 70.24 110.424 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.1 -49.91 74.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 74.4 110.272 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.26 -43.52 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 72.21 109.37 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.514 ' CH2' HD13 ' A' 2031 ' ' LEU . 1.0 OUTLIER -62.77 -33.06 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.23 107.998 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -50.61 70.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.603 1.189 . . . . 71.22 109.26 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.4 mp -54.87 -53.11 59.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 75.11 109.369 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 18.1 m-85 -57.15 -46.77 82.45 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.433 1.083 . . . . 73.03 110.936 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.43 -48.37 47.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 75.33 111.04 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2106 ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' 2110 ' ' ARG . 37.3 m170 -62.64 -37.88 88.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 72.45 109.595 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.458 HG13 ' CD2' ' A' 2074 ' ' TYR . 2.1 t -69.59 -56.65 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 65.21 109.211 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.612 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 30.9 m-85 -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.42 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' 2105 ' ' TYR . 7.6 ttt180 -76.49 -30.62 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 74.42 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2110 ' ' ARG . . . . . 0.428 ' CB ' ' OH ' ' A' 2074 ' ' TYR . 10.2 mmt-85 -72.59 -51.43 19.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 73.43 110.341 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' 2108 ' ' PHE . 15.5 pt -42.92 -31.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 75.21 109.277 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.1 m -85.3 -53.96 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 74.15 109.998 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.97 127.21 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 75.15 109.358 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 9.5 tp60 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.375 1.047 . . . . 73.54 110.382 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 19.0 ptt? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.495 0.188 . . . . 73.52 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -12.55 36.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.41 110.251 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' 2017 ' ' ILE . 0.1 OUTLIER 80.03 -153.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 74.4 109.161 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' 2016 ' ' LEU . 0.0 OUTLIER -38.65 153.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 73.24 109.325 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' 2018 ' ' ARG . 0.8 OUTLIER -110.08 -162.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 74.41 110.293 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' 2021 ' ' ILE . 2.3 t -138.67 127.89 14.39 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.436 1.085 . . . . 72.41 109.423 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -26.83 10.44 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.442 1.759 . . . . 64.13 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.459 ' O ' ' CG1' ' A' 2019 ' ' VAL . 1.7 pp -110.87 102.2 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 75.22 109.365 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' 2022 ' ' LEU . 0.2 OUTLIER -171.01 -160.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.447 1.092 . . . . 65.02 109.299 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.543 ' CG ' ' HE1' ' A' 2058 ' ' MET . 8.7 m0 -66.53 -51.44 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 74.22 107.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.464 ' ND1' HD11 ' A' 2022 ' ' LEU . 2.7 m170 -46.45 -25.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 63.34 109.551 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.3 tm-20 -69.42 -32.53 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 74.31 110.378 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -76.02 -31.51 58.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 73.53 111.028 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.572 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 61.6 m95 -69.98 -50.52 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 72.3 108.028 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.6 OUTLIER -60.85 -59.17 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 65.32 109.615 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.451 ' N ' ' CD2' ' A' 2028 ' ' HIS . 0.0 OUTLIER -63.24 -33.79 76.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 75.23 110.257 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.47 -64.18 4.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.133 . . . . 70.31 111.01 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.605 ' CD2' ' CG ' ' A' 2108 ' ' PHE . 1.8 tp -61.55 -32.4 72.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 74.42 109.343 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' 2028 ' ' HIS . 2.8 mt-10 -55.12 -48.35 73.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 62.04 110.258 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.11 -49.15 25.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.401 1.063 . . . . 71.12 110.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -56.64 -37.24 70.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 73.33 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' 2031 ' ' LEU . 17.6 t -75.91 -52.94 9.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.168 . . . . 73.34 110.01 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.2 -44.3 53.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 75.53 110.216 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' A' 2038 ' ' TYR . 3.3 pp -70.43 -48.08 57.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 71.24 109.317 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.578 ' N ' ' CD1' ' A' 2037 ' ' LEU . 42.9 t80 -53.93 -46.25 71.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 72.53 110.999 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -77.03 -47.3 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 75.33 110.926 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -84.05 -73.13 1.27 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.467 1.105 . . . . 73.24 110.964 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' 2037 ' ' LEU . 29.7 tp10 -47.44 -25.62 1.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.569 0.805 . . . . 74.44 110.21 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' 2037 ' ' LEU . 0.0 OUTLIER 60.71 18.58 8.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 75.24 110.351 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.445 ' O ' ' CD1' ' A' 2037 ' ' LEU . 1.9 m-20 -116.2 118.28 32.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 71.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.561 HG13 ' CE2' ' A' 2048 ' ' PHE . 48.7 t -73.88 -26.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 70.14 109.407 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.618 ' HD2' ' HE2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.87 -36.26 37.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.091 . . . . 70.34 109.385 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -62.11 -53.24 44.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.54 1.15 . . . . 75.3 110.963 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.484 ' CE ' HG11 ' A' 2044 ' ' VAL . 8.4 tmm? -52.58 -43.32 65.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 0.814 . . . . 62.52 110.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.583 ' CD2' ' CE ' ' A' 2089 ' ' MET . 14.2 m-85 -68.03 -37.66 81.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 63.01 110.989 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.618 ' HE2' ' HD2' ' A' 2045 ' ' LYS . 28.2 mt-10 -75.89 -13.73 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 71.01 110.203 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.549 ' C ' ' HD2' ' A' 2053 ' ' PRO . 24.4 t -84.82 -44.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.107 . . . . 71.43 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.627 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.2 -45.43 33.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 75.12 109.363 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.8 -55.99 1.16 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 73.24 110.31 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.557 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -74.96 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 73.24 111.041 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' 2051 ' ' LEU . 20.9 mt -49.41 -55.31 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 73.05 109.254 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.573 ' CE1' HD21 ' A' 2078 ' ' LEU . 3.3 m170 -58.43 -53.37 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 75.35 109.661 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.29 -50.19 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 74.31 109.232 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.11 -39.52 43.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 74.33 110.971 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.543 ' HE1' ' CG ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -69.14 -31.7 70.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.502 1.126 . . . . 74.45 110.85 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.1 mm-40 -76.43 -63.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 63.43 110.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 2056 ' ' ALA . 30.8 ptt180 -71.52 -18.19 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.12 110.359 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.38 77.25 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.558 1.161 . . . . 53.13 110.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.6 1.842 . . . . 63.42 110.94 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.537 ' O ' ' CG2' ' A' 2064 ' ' THR . 4.7 tp60 -148.94 -76.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 75.23 110.363 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.537 ' CG2' ' O ' ' A' 2063 ' ' GLN . 23.8 p -158.61 177.43 11.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.157 . . . . 71.24 110.362 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -27.23 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 74.23 109.412 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 18.0 mttt -67.33 -39.71 85.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 74.01 109.266 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -77.24 -26.04 52.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.22 110.248 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.9 m -54.79 -28.51 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 74.22 110.453 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -37.56 63.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 72.51 110.037 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.413 ' CE1' ' HE2' ' A' 2074 ' ' TYR . 62.6 t80 -63.42 -51.63 64.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 70.54 110.985 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' 2075 ' ' GLY . 22.5 t-20 -63.74 -29.92 71.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 74.11 109.377 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.27 -45.93 21.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 72.34 110.34 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.98 -46.22 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 71.3 109.323 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.71 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 39.1 m-85 -99.49 -17.75 17.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 74.33 110.956 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -39.13 -28.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 71.51 110.995 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2076 ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' 2074 ' ' TYR . 19.0 tpt180 -79.02 -46.79 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 70.41 110.345 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' 2074 ' ' TYR . 6.7 m-20 -61.37 -57.05 13.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 71.51 109.364 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.573 HD21 ' CE1' ' A' 2055 ' ' HIS . 8.0 mp -51.37 -46.0 62.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 62.32 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.1 ttm -50.49 -49.38 55.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 74.13 110.971 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.487 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.4 tt0 -71.1 -48.3 53.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 75.42 110.26 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.439 ' N ' HD21 ' A' 2103 ' ' LEU . . . -53.47 -44.36 68.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 72.24 109.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.63 -38.49 90.46 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.482 1.114 . . . . 71.42 110.312 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.529 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -60.69 -37.29 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 71.43 110.271 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 98.7 m95 -75.84 -25.78 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.933 -1.136 . . . . 74.41 107.933 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' 2081 ' ' ALA . 71.6 m -69.48 -59.0 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 60.31 108.25 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.529 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 1.1 ptm180 -65.05 -28.63 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 73.11 110.234 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.457 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.66 -33.6 71.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.599 1.187 . . . . 64.41 109.332 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.751 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 9.9 t80 -77.16 -45.2 27.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 74.23 111.026 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.583 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -60.31 -40.44 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 55.32 111.055 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -57.53 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 73.35 109.265 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.16 77.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 62.5 109.995 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -124.64 -148.86 7.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.383 1.052 . . . . 64.3 110.939 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -141.96 -178.06 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 72.35 109.326 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -40.81 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 75.55 109.322 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 -48.42 49.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 75.44 109.329 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.751 ' HD2' ' HB2' ' A' 2088 ' ' TYR . 0.0 OUTLIER -66.1 -42.8 88.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 72.31 109.319 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.514 HD22 ' CE1' ' A' 2088 ' ' TYR . 1.6 tp -59.07 -46.9 87.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 74.21 109.287 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -58.75 -42.16 88.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 74.54 110.471 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 74.34 110.366 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.4 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 71.14 109.246 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.502 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 0.2 OUTLIER -56.67 -31.2 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 74.12 107.935 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -48.99 68.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.627 1.205 . . . . 62.43 109.38 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.5 mp -53.45 -52.75 58.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 74.31 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.422 ' O ' HG21 ' A' 2107 ' ' VAL . 11.0 m-85 -56.84 -57.35 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 74.51 111.005 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.3 t80 -49.67 -27.94 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 73.25 111.053 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -70.71 -55.67 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.12 109.559 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.71 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.5 m -64.13 -43.79 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 72.41 109.261 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.605 ' CG ' ' CD2' ' A' 2031 ' ' LEU . 17.8 m-85 -66.63 -29.61 69.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 74.32 110.947 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' 2105 ' ' TYR . 22.3 ttt85 -77.84 -28.16 50.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 73.11 110.287 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -75.15 -51.52 13.21 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.422 1.077 . . . . 73.22 110.337 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.572 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.0 pt -45.24 -35.08 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.552 1.157 . . . . 75.33 109.352 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.38 -47.09 20.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 74.01 110.02 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2113 ' ' LYS . . . . . 0.487 ' NZ ' ' NH1' ' A' 2109 ' ' ARG . 0.0 OUTLIER -41.45 124.29 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.33 109.245 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 73.02 110.291 -179.988 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 2.5 mtm . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.552 0.215 . . . . 63.13 111.021 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -13.64 15.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 74.43 110.303 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 45.04 -167.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 73.11 109.293 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 11.0 tt -54.18 -31.27 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 74.41 109.255 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.75 126.03 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 75.13 110.331 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.407 ' O ' ' OE1' ' A' 2025 ' ' GLU . 47.3 t -40.57 129.81 1.8 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 75.04 109.333 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' 2021 ' ' ILE . 18.4 Cg_endo -74.96 -31.2 6.47 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 75.31 111.069 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.519 ' CD1' ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -108.87 88.63 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 73.45 109.317 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -175.59 162.97 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 75.41 109.18 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.545 ' CD2' ' HE3' ' A' 2058 ' ' MET . 10.2 m0 -69.36 -52.49 26.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 75.01 108.067 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 4.3 m80 -46.75 -24.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 71.32 109.635 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' 2023 ' ' TRP . 8.0 tp10 -69.03 -36.34 77.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 73.45 110.331 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -73.96 -31.1 62.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 74.13 110.948 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.484 ' HE3' ' CD1' ' A' 2108 ' ' PHE . 63.0 m95 -68.67 -51.47 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 70.51 108.051 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -58.02 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 74.2 109.691 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.6 OUTLIER -63.04 -37.38 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 73.44 110.209 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -57.8 -64.96 3.89 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.634 1.209 . . . . 70.13 110.996 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.758 ' HG ' ' CE1' ' A' 2108 ' ' PHE . 6.0 mt -58.87 -30.44 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 0.814 . . . . 74.12 109.316 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.95 -53.74 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 74.53 110.293 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.388 1.055 . . . . 53.31 110.305 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 62.02 109.302 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.448 ' HB2' ' CD2' ' A' 2039 ' ' PHE . 51.9 p -60.62 -42.87 97.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.17 . . . . 73.03 109.912 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -59.88 -32.87 71.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.12 110.254 -179.934 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' 2034 ' ' ALA . 2.7 mt -70.53 -42.38 71.28 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.512 1.132 . . . . 71.33 109.291 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' 2041 ' ' GLU . 75.3 t80 -75.56 -55.07 6.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 75.11 110.934 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2039 ' ' PHE . . . . . 0.448 ' CD2' ' HB2' ' A' 2035 ' ' SER . 26.3 m-85 -69.75 -48.49 59.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 72.15 110.926 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -70.65 -59.85 4.98 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.413 1.07 . . . . 61.42 111.001 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' 2038 ' ' TYR . 3.7 tt0 -102.92 -166.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.6 0.824 . . . . 73.13 110.303 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.62 20.97 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 74.15 110.337 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -95.5 94.84 8.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.569 1.168 . . . . 71.14 109.239 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.759 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 3.5 t -65.62 -11.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 75.31 109.217 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.29 -38.85 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 71.11 109.287 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.464 ' O ' ' HG2' ' A' 2049 ' ' GLU . . . -54.17 -56.13 22.87 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.373 1.046 . . . . 74.21 111.032 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.2 OUTLIER -60.62 -48.87 79.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 74.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.759 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.8 m-30 -60.59 -43.66 97.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 71.55 111.017 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.555 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.3 pt-20 -72.32 -13.4 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 73.34 110.36 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.583 ' C ' ' HD2' ' A' 2053 ' ' PRO . 6.8 t -84.9 -45.19 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.371 1.045 . . . . 70.04 109.313 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.588 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.64 -43.15 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.43 109.357 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.532 ' HE2' ' HB3' ' A' 2048 ' ' PHE . 0.3 OUTLIER -37.27 -54.34 2.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 54.42 110.339 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.583 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.96 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 73.12 110.909 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.508 ' HB2' ' HA ' ' A' 2051 ' ' LEU . 34.9 mt -48.2 -55.42 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 75.12 109.262 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 39.4 m170 -60.9 -51.81 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 73.12 109.514 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.68 -49.02 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 44.2 109.266 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.22 -41.55 50.04 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 72.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.545 ' HE3' ' CD2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -65.26 -34.57 78.67 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.065 . . . . 72.24 111.016 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.2 mm-40 -74.81 -62.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 1.179 . . . . 75.34 110.371 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.455 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.0 ptm180 -72.52 -7.92 52.47 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.549 1.156 . . . . 71.31 110.323 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' 2057 ' ' MET . . . -125.36 67.51 0.52 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 63.13 110.949 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.3 Cg_endo -75.08 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 74.1 111.076 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.506 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -153.32 -73.93 0.13 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.63 1.206 . . . . 74.1 110.244 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.516 ' O ' ' CG2' ' A' 2068 ' ' THR . 4.8 p -159.68 175.62 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.41 110.368 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.436 ' O ' ' OG1' ' A' 2068 ' ' THR . 0.2 OUTLIER -53.78 -26.88 25.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 65.43 109.365 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.49 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.439 1.087 . . . . 43.32 109.356 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.518 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -68.33 -37.24 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 74.42 110.183 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' 2064 ' ' THR . 71.7 p -54.08 -36.36 63.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 74.41 110.377 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -37.15 64.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.368 1.042 . . . . 65.35 110.022 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.413 ' CE2' HG23 ' A' 2111 ' ' ILE . 43.9 t80 -72.82 -53.29 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.33 110.971 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' CA ' ' A' 2075 ' ' GLY . 23.9 t30 -64.85 -29.3 70.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 71.53 109.322 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2072 ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' 2068 ' ' THR . 7.3 mt-30 -78.13 -51.45 10.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.381 1.051 . . . . 74.15 110.293 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.9 -50.68 5.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 74.31 109.265 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.558 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.1 m-85 -94.78 -14.83 24.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 71.21 111.017 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.73 -48.86 1.87 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 63.44 111.051 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -45.82 58.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 0.793 . . . . 73.25 110.294 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -55.17 -54.67 40.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.03 109.203 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' 2055 ' ' HIS . 37.5 mt -54.94 -34.38 63.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 74.23 109.33 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 26.4 tpp -64.43 -46.84 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.24 111.052 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 5.4 tt0 -60.29 -54.96 39.52 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.438 1.086 . . . . 75.11 110.41 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.456 ' HB1' ' CE1' ' A' 2104 ' ' TYR . . . -52.61 -40.61 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 73.02 109.269 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.44 -42.89 92.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.52 110.271 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.6 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 74.43 110.25 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.418 ' CE3' ' HE3' ' A' 2087 ' ' LYS . 98.3 m95 -72.08 -30.75 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.988 -1.116 . . . . 73.21 107.988 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 98.2 m -66.53 -58.79 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 75.44 108.258 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.25 73.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 74.3 110.311 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -59.54 -37.54 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 61.12 109.27 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 1.2 t80 -75.79 -46.13 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 63.24 111.004 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.568 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 4.1 mtt -56.5 -31.93 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 75.05 110.977 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -55.79 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 73.42 109.315 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.2 t -68.39 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.22 110.05 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.29 94.83 1.81 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.564 1.165 . . . . 53.34 110.995 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.63 113.72 1.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 0.785 . . . . 74.01 109.363 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.9 p -50.01 -37.16 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 72.54 109.351 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.8 tttt -49.4 -49.67 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 75.15 109.336 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.63 -32.2 69.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 74.43 109.379 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.593 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 1.6 tt -64.97 -49.45 70.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.34 109.304 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.8 m -60.38 -50.31 74.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 62.54 110.334 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -51.48 50.77 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.584 1.177 . . . . 75.2 110.245 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -58.15 -43.21 87.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 74.24 109.312 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.703 ' CH2' ' CD2' ' A' 2031 ' ' LEU . 0.0 OUTLIER -62.79 -41.18 99.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 73.25 108.057 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 -47.36 71.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 75.21 109.252 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.4 mp -59.44 -55.06 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 75.33 109.27 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.456 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 10.1 m-85 -55.39 -57.4 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 70.3 110.954 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.484 ' O ' ' HB2' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.48 -41.61 30.25 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 73.22 110.942 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -57.08 -45.92 82.92 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.569 1.168 . . . . 74.25 109.548 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.558 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -72.74 -39.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 75.44 109.355 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.758 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 7.6 m-85 -67.88 -30.51 69.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 64.22 111.052 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -78.17 -36.83 47.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 72.34 110.301 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -64.35 -51.48 63.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 72.03 110.246 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 18.4 pt -45.0 -40.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 75.03 109.355 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 7.7 t -79.63 -50.78 10.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 74.31 110.051 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 115.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 70.13 109.392 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 64.14 110.373 179.993 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.443 0.163 . . . . 72.11 110.987 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2015 ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' 2016 ' ' LEU . 1.6 pt-20 -66.58 -38.57 87.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 64.33 110.263 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' 2017 ' ' ILE . 0.1 OUTLIER 81.69 116.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 74.23 109.304 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.45 HD11 ' N ' ' A' 2017 ' ' ILE . 4.5 mm -37.81 116.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.371 1.045 . . . . 72.54 109.245 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.588 ' NH1' ' CE1' ' A' 2028 ' ' HIS . 0.5 OUTLIER -179.13 154.16 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 73.21 110.28 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.469 HG13 ' CB ' ' A' 2022 ' ' LEU . 2.1 p -38.39 136.9 0.84 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 71.34 109.274 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 2019 ' ' VAL . 18.1 Cg_endo -75.04 -61.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.433 1.754 . . . . 65.24 110.861 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.503 ' O ' ' CD1' ' A' 2022 ' ' LEU . 0.0 OUTLIER -86.07 90.92 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 73.11 109.306 -179.873 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' 2021 ' ' ILE . 1.3 tp -174.96 154.86 1.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 73.2 109.317 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.557 ' CD2' ' HE2' ' A' 2058 ' ' MET . 3.5 m0 -76.51 -47.2 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.31 108.026 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.7 m80 -48.06 -22.67 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 73.34 109.559 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.1 OUTLIER -69.37 -35.03 75.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 72.13 110.249 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -78.69 -30.68 46.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 74.11 111.061 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.652 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 64.8 m95 -71.9 -46.53 57.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.537 1.148 . . . . 74.4 108.022 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.588 ' CE1' ' NH1' ' A' 2018 ' ' ARG . 0.0 OUTLIER -64.83 -59.8 3.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 73.33 109.606 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 74.04 110.283 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.427 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -60.27 -65.28 3.47 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 72.14 110.944 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.609 ' HB2' ' CD2' ' A' 2108 ' ' PHE . 4.0 tp -59.95 -29.88 68.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 73.31 109.275 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' 2028 ' ' HIS . 6.2 mm-40 -54.47 -53.92 47.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 73.42 110.326 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.95 -50.91 53.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 75.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -55.31 -47.66 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 74.24 109.35 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' 2039 ' ' PHE . 30.7 t -57.71 -40.55 79.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 65.3 109.955 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.483 ' O ' ' CA ' ' A' 2040 ' ' GLY . 2.6 ttt85 -63.1 -34.7 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 75.41 110.349 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.479 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 2.0 mt -69.86 -36.1 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 73.22 109.373 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 77.1 t80 -82.92 -56.19 3.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 73.4 110.992 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2039 ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' 2035 ' ' SER . 53.6 m-85 -73.9 -47.04 40.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 75.24 110.957 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -72.6 -67.36 1.84 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 62.43 111.014 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' 2037 ' ' LEU . 2.2 mt-10 -94.48 -168.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 0.729 . . . . 73.22 110.26 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.23 23.37 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.42 110.361 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -103.44 94.33 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 73.03 109.287 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.571 HG11 ' CE2' ' A' 2088 ' ' TYR . 2.3 t -62.36 -23.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 75.44 109.316 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -56.82 -36.47 69.99 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.487 1.117 . . . . 74.25 109.358 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.567 ' O ' ' HG3' ' A' 2049 ' ' GLU . . . -51.59 -50.85 40.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.606 1.191 . . . . 74.01 111.036 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.531 ' O ' ' HG ' ' A' 2051 ' ' LEU . 10.7 tmm? -64.6 -53.9 40.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 75.3 111.015 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' 2089 ' ' MET . 11.3 m-85 -51.56 -47.06 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.663 1.227 . . . . 71.43 110.949 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.7 pp20? -73.68 -14.75 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 74.12 110.278 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.606 ' C ' ' HD2' ' A' 2053 ' ' PRO . 3.7 t -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.621 1.2 . . . . 74.14 109.336 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.4 OUTLIER -78.21 -40.09 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 62.51 109.399 179.878 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' 2048 ' ' PHE . 5.9 mt-10 -41.49 -53.7 7.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 75.41 110.35 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.606 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.99 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 75.14 111.043 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' 2051 ' ' LEU . 56.9 mt -49.96 -55.12 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 73.24 109.259 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 57.5 m170 -60.0 -51.27 70.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 74.32 109.536 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.6 -49.74 67.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 55.44 109.181 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.31 -37.66 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 71.54 111.025 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.557 ' HE2' ' CD2' ' A' 2023 ' ' TRP . 2.1 mmt -70.13 -33.26 71.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 74.54 110.991 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.4 -63.34 1.21 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.632 1.208 . . . . 71.4 110.239 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' 2056 ' ' ALA . 7.6 ptm180 -73.38 -19.73 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 74.15 110.203 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -121.53 74.84 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.436 1.085 . . . . 53.41 111.043 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.84 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.667 1.878 . . . . 60.52 111.049 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -133.06 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 74.11 110.284 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -179.27 163.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 71.13 110.388 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.45 ' O ' ' OG1' ' A' 2068 ' ' THR . 0.2 OUTLIER -49.33 -26.11 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 71.4 109.317 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -73.22 -36.26 66.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 75.45 109.273 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' 2064 ' ' THR . 1.2 pp20? -47.3 -22.34 0.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.109 . . . . 74.24 110.255 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' 2065 ' ' LEU . 46.7 p -53.85 -42.76 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 70.13 110.398 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -44.92 69.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 74.4 110.012 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.417 ' CZ ' ' CG2' ' A' 2111 ' ' ILE . 0.8 OUTLIER -72.37 -54.51 9.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 75.44 111.078 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.584 ' O ' ' CA ' ' A' 2075 ' ' GLY . 60.0 t-20 -56.16 -35.08 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.5 109.315 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2072 ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' 2068 ' ' THR . 6.8 mt-30 -81.04 -46.26 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 75.33 110.301 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.95 -51.93 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 53.23 109.268 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.633 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.5 m-85 -101.75 -12.09 18.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 75.41 111.011 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.584 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.72 -34.41 1.23 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.504 1.128 . . . . 74.53 110.929 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -40.89 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 74.12 110.31 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.0 OUTLIER -61.66 -58.94 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 72.44 109.306 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.488 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 9.5 mp -52.39 -43.55 64.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 62.34 109.296 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2079 ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -50.69 -49.75 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 73.4 111.074 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 20.7 tt0 -71.74 -47.62 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 74.21 110.296 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.513 ' HB3' ' CZ ' ' A' 2104 ' ' TYR . . . -53.72 -44.26 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 73.33 109.312 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -38.76 92.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 71.41 110.316 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -37.62 76.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 70.31 110.249 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.462 ' HB2' ' CB ' ' A' 2100 ' ' ALA . 99.0 m95 -73.72 -32.26 63.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.973 -1.121 . . . . 75.01 107.973 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.405 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 1.1 m -64.93 -48.79 72.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 65.03 108.28 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -41.14 97.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 74.21 110.305 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -33.96 75.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 74.31 109.242 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.571 ' CE2' HG11 ' A' 2044 ' ' VAL . 6.2 t80 -71.88 -47.32 53.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 63.51 110.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' 2048 ' ' PHE . 0.6 OUTLIER -62.11 -29.21 70.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.23 110.992 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.6 -52.17 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 75.04 109.233 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 49.1 m -83.18 -66.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 73.23 110.028 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.06 89.16 2.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 75.21 111.033 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2093 ' ' ASN . . . . . 0.406 ' O ' ' OD2' ' A' 2096 ' ' ASP . 0.7 OUTLIER -149.09 133.6 17.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 0.785 . . . . 72.44 109.27 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.8 p -72.67 -40.83 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 75.32 109.25 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -49.93 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 75.04 109.315 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' 2097 ' ' LEU . 0.0 OUTLIER -65.48 -45.49 83.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.34 109.398 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.562 HD21 ' CE1' ' A' 2088 ' ' TYR . 14.5 tp -58.65 -38.08 77.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 73.25 109.3 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.1 m -61.79 -50.5 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 73.43 110.439 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -47.87 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 73.44 110.312 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2100 ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' 2084 ' ' TRP . . . -56.26 -48.17 77.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 70.22 109.366 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.437 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 1.4 m95 -55.52 -37.35 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 74.24 107.954 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.3 -48.06 83.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.35 109.298 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 4.4 mp -54.65 -54.07 46.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 74.35 109.255 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' 2081 ' ' ALA . 18.9 m-85 -56.38 -56.87 15.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 75.43 110.93 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.547 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.78 -33.47 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 73.1 110.881 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.44 -55.12 26.8 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 74.24 109.578 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.633 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.5 m -66.44 -44.26 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 71.2 109.263 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.652 ' CE1' ' CE3' ' A' 2027 ' ' TRP . 15.0 m-85 -66.22 -29.24 69.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 75.45 110.879 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.547 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.1 ttm180 -76.35 -32.86 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.42 110.309 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -51.63 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.43 110.247 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.533 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 12.6 pt -43.53 -38.98 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 73.54 109.262 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 41.8 t -80.54 -54.38 5.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 70.31 110.087 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 148.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 75.13 109.312 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 74.04 110.298 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.4 tpp . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.389 0.138 . . . . 74.23 111.064 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.54 -10.89 60.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 74.32 110.245 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' 2017 ' ' ILE . 0.6 OUTLIER 68.06 52.05 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 75.32 109.336 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' 2016 ' ' LEU . 1.8 mp 52.16 175.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 73.14 109.373 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' 2018 ' ' ARG . 0.0 OUTLIER -158.86 47.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 74.2 110.355 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.549 ' CG2' ' HB2' ' A' 2022 ' ' LEU . 0.4 OUTLIER -150.37 137.42 11.45 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 72.14 109.339 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.432 ' N ' HG23 ' A' 2019 ' ' VAL . 18.2 Cg_endo -74.99 -71.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 74.02 111.039 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.521 ' O ' ' CD2' ' A' 2022 ' ' LEU . 1.3 pp -119.47 118.31 56.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.497 1.123 . . . . 74.54 109.365 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.549 ' HB2' ' CG2' ' A' 2019 ' ' VAL . 0.2 OUTLIER 178.32 170.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 74.02 109.343 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.617 ' CG ' ' CE ' ' A' 2058 ' ' MET . 9.6 m0 -48.44 -51.79 25.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 75.54 107.963 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.9 m80 -46.97 -23.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.324 1.015 . . . . 75.14 109.585 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' 2022 ' ' LEU . 2.0 tm-20 -70.67 -35.3 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 71.41 110.186 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.503 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -77.94 -29.73 50.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 75.45 111.046 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.631 ' CE3' ' CZ ' ' A' 2108 ' ' PHE . 55.1 m95 -69.4 -49.6 53.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.918 -1.141 . . . . 73.22 107.918 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' 2029 ' ' GLU . 0.0 OUTLIER -61.42 -56.07 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 73.33 109.58 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' 2028 ' ' HIS . 1.5 mm-40 -57.93 -43.39 86.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 72.45 110.306 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.2 -63.43 4.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.583 1.177 . . . . 75.03 110.92 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.749 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 5.4 mt -56.32 -30.59 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 74.24 109.229 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -55.84 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 71.43 110.309 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.62 -46.54 63.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 74.14 110.322 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -56.49 -47.63 78.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 73.43 109.305 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.7 m -56.74 -45.46 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 62.33 110.043 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.406 ' O ' ' HA3' ' A' 2040 ' ' GLY . 0.0 OUTLIER -60.03 -32.5 70.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.42 110.41 179.894 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' 2041 ' ' GLU . 4.3 mt -70.9 -34.67 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 75.12 109.282 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 83.7 t80 -83.35 -55.4 4.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 73.15 110.997 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -69.71 -48.63 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 75.24 110.988 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' 2036 ' ' ARG . . . -58.0 -56.66 23.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 62.22 110.985 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' 2037 ' ' LEU . 13.2 tp10 -127.77 167.82 15.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 0.762 . . . . 75.31 110.232 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 43.27 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 64.23 110.38 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.45 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 58.0 m-20 -123.28 92.24 3.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 75.43 109.32 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2044 ' ' VAL . . . . . . . . . . . . . 30.7 m -72.32 -14.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.075 . . . . 75.43 109.231 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.45 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.91 -44.38 60.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 73.41 109.302 179.918 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -53.28 -53.01 36.92 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 74.31 111.027 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.545 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 7.1 tmm? -53.96 -46.97 71.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 0.738 . . . . 72.22 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.6 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 9.3 m-85 -63.49 -39.2 93.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 64.04 110.994 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.0 mt-10 -75.5 -13.79 60.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.571 1.17 . . . . 72.03 110.281 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.573 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.1 t -84.6 -43.29 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.642 1.214 . . . . 75.52 109.33 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.603 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.59 -46.53 25.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 71.21 109.271 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.6 OUTLIER -34.6 -55.34 0.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 71.21 110.284 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.573 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.5 Cg_endo -74.96 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 71.33 110.961 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.464 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 16.9 mt -49.3 -56.65 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 75.43 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 62.9 m170 -59.57 -50.45 73.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 75.5 109.63 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.67 -49.9 61.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 71.51 109.3 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.55 -39.36 57.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 71.01 110.957 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.617 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 2.3 mmt -67.9 -33.56 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 72.33 110.959 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.708 ' HE2' HD22 ' A' 2071 ' ' ASN . 4.9 mm-40 -73.21 -63.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 74.15 110.275 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' 2056 ' ' ALA . 3.5 ptt180 -71.46 -18.59 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.414 1.071 . . . . 73.34 110.28 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2057 ' ' MET . . . -116.64 79.83 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.147 . . . . 75.25 111.006 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.581 1.832 . . . . 60.45 110.959 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.5 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -145.9 -80.45 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.625 1.203 . . . . 75.43 110.296 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' 2063 ' ' GLN . 27.0 p -156.95 -173.47 4.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 71.33 110.359 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -32.91 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.263 0.977 . . . . 73.34 109.341 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.3 86.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.23 109.368 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.534 ' HG2' ' CZ3' ' A' 2023 ' ' TRP . 0.3 OUTLIER -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.2 110.232 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 39.5 m -61.85 -36.13 80.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 73.54 110.377 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.12 74.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.626 1.204 . . . . 55.52 110.124 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 38.8 t80 -63.18 -52.39 62.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 74.25 111.011 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.708 HD22 ' HE2' ' A' 2059 ' ' GLU . 0.9 OUTLIER -62.03 -29.47 70.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 74.5 109.371 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.78 -39.0 31.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 72.32 110.322 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -57.9 -24.78 59.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.42 109.412 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.534 ' CD1' HG13 ' A' 2107 ' ' VAL . 35.9 m-85 -118.45 -13.6 9.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 73.34 111.009 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.86 -38.87 4.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 65.05 111.022 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2076 ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -81.59 -26.24 35.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 75.34 110.367 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' 2074 ' ' TYR . 73.7 m-20 -80.12 -52.39 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 74.11 109.283 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.451 ' O ' ' CB ' ' A' 2082 ' ' GLN . 4.4 mt -57.03 -43.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 72.34 109.275 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2079 ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' 2080 ' ' GLU . 11.1 ptm -66.48 -40.58 89.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 75.12 110.966 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.489 ' N ' ' HG3' ' A' 2079 ' ' MET . 54.7 tt0 -67.71 -57.92 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 73.42 110.326 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' A' 2103 ' ' LEU . . . -56.93 -43.22 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 72.45 109.384 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2082 ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.9 tp60 -58.32 -39.28 79.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 71.31 110.251 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -37.89 89.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 60.13 110.225 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.4 m95 -66.07 -35.03 79.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 72.32 108.013 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.7 t -61.56 -48.07 82.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 71.14 108.341 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' 2082 ' ' GLN . 5.4 mtp180 -59.98 -38.73 83.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.34 110.233 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' 2091 ' ' SER . 6.5 mtpm? -59.98 -42.39 94.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.54 109.329 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.583 ' CE2' HD21 ' A' 2097 ' ' LEU . 1.4 t80 -73.35 -48.28 35.51 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.48 1.112 . . . . 71.23 110.994 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.55 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 0.9 OUTLIER -56.91 -30.37 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.665 1.228 . . . . 62.11 111.048 179.914 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.69 -56.74 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 74.45 109.347 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.5 t -72.02 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 61.24 110.021 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.63 83.67 1.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.398 1.061 . . . . 65.41 110.968 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.26 121.45 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 71.44 109.305 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.23 -20.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.41 1.069 . . . . 75.55 109.332 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.3 tptt -62.78 -50.85 69.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 72.11 109.29 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -37.38 75.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 72.45 109.259 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' 2088 ' ' TYR . 0.3 OUTLIER -65.61 -47.14 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 73.03 109.299 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -59.59 -43.45 93.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 75.4 110.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 74.2 110.262 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.31 -44.95 84.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 53.25 109.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.448 ' CE2' ' HG3' ' A' 2047 ' ' MET . 0.1 OUTLIER -66.37 -30.9 71.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.32 108.054 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.44 -50.64 64.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 74.41 109.284 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 9.3 mt -57.74 -46.99 83.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.378 1.049 . . . . 74.35 109.23 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.469 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 12.8 m-85 -61.95 -47.06 86.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 72.34 111.051 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.82 -48.59 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 72.42 111.019 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.49 -44.5 96.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.425 1.078 . . . . 74.22 109.502 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.534 HG13 ' CD1' ' A' 2074 ' ' TYR . 3.4 t -61.75 -57.04 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 75.33 109.356 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.749 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 25.2 m-85 -64.66 -27.34 68.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 74.44 111.021 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' 2105 ' ' TYR . 3.9 ttm180 -73.93 -26.7 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 64.14 110.242 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -51.98 10.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 74.23 110.287 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.553 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 11.9 pt -43.18 -34.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 62.01 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 79.1 p -84.0 -53.65 5.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.463 1.102 . . . . 63.41 109.988 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 2113 ' ' LYS . . . . . 0.441 ' NZ ' ' NE ' ' A' 2109 ' ' ARG . 3.5 mttt -43.67 159.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 74.41 109.38 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 10.5 tm0? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 73.52 110.331 -179.963 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 6.3 mmt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.6 0.238 . . . . 72.23 110.943 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A 2015 ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' 2016 ' ' LEU . 49.0 mt-10 -116.29 -12.94 11.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 75.25 110.223 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' 2015 ' ' GLU . 3.4 mm? 68.84 -109.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 1.196 . . . . 70.51 109.275 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.75 114.31 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 74.02 109.284 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' 2019 ' ' VAL . 0.0 OUTLIER 179.52 147.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.43 110.354 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' 2020 ' ' PRO . 67.3 t -38.79 143.59 0.45 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 73.45 109.241 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' 2019 ' ' VAL . 18.7 Cg_endo -74.96 -90.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 74.32 111.105 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' 2021 ' ' ILE . 2.2 pp -63.75 81.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.453 1.096 . . . . 71.45 109.269 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' 2020 ' ' PRO . 1.5 tp -159.29 155.13 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 71.02 109.269 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.577 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -78.44 -51.05 10.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.158 . . . . 74.41 108.05 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m170 -47.15 -22.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 74.4 109.678 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.2 tp10 -68.72 -35.25 76.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 74.15 110.324 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.529 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -79.55 -33.09 42.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 64.44 111.082 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.673 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 64.6 m95 -67.68 -47.71 68.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 75.14 108.005 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -57.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 63.32 109.585 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.2 OUTLIER -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.351 1.032 . . . . 65.31 110.279 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.65 -62.85 5.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 71.33 110.983 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.755 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 4.6 mt -60.21 -32.0 70.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 0.804 . . . . 71.0 109.379 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' 2036 ' ' ARG . 37.2 mt-10 -54.15 -47.69 71.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 74.43 110.316 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.446 ' OE1' ' CD2' ' A' 2037 ' ' LEU . 0.0 OUTLIER -78.15 -50.6 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 72.22 110.29 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.506 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.7 -46.46 70.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.33 109.256 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' 2031 ' ' LEU . 41.2 t -67.47 -44.08 79.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 65.14 109.968 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' 2032 ' ' GLU . 2.3 mtp180 -54.57 -51.93 63.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.363 1.039 . . . . 65.11 110.374 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' 2041 ' ' GLU . 3.5 pp -70.1 -41.2 74.31 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 75.41 109.345 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' 2042 ' ' ARG . 49.4 t80 -53.89 -54.74 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 72.2 110.965 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2039 ' ' PHE . . . . . 0.412 ' CD2' ' HD2' ' A' 2038 ' ' TYR . 45.8 m-85 -77.02 -42.94 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 74.04 110.964 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -74.78 -71.53 1.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.165 . . . . 64.32 110.975 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' 2037 ' ' LEU . 4.9 tp10 -53.65 -37.57 63.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 72.53 110.392 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' 2041 ' ' GLU . 4.2 tpt180 83.91 12.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.585 1.178 . . . . 73.24 110.264 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.461 ' ND2' ' NZ ' ' A' 2045 ' ' LYS . 19.7 m-20 -114.46 128.79 56.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 74.24 109.318 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.45 ' CB ' HD23 ' A' 2097 ' ' LEU . 35.8 m -82.76 -27.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 74.25 109.273 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.461 ' NZ ' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.83 -39.53 25.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.385 1.053 . . . . 74.24 109.323 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -57.75 -53.89 41.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 75.34 111.061 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.569 ' HE2' ' CE1' ' A' 2048 ' ' PHE . 4.7 tmm? -53.29 -42.39 66.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 0.731 . . . . 72.13 110.921 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.616 ' CD1' ' SG ' ' A' 2085 ' ' CYS . 13.0 m-85 -65.56 -36.98 85.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 70.44 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.549 ' O ' ' CD ' ' A' 2053 ' ' PRO . 26.9 mt-10 -75.63 -14.59 60.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.608 1.192 . . . . 75.52 110.309 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.585 ' C ' ' HD2' ' A' 2053 ' ' PRO . 18.9 t -84.41 -43.95 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.624 1.203 . . . . 75.21 109.225 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.63 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.88 -45.23 28.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 75.11 109.359 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.448 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.39 -54.41 1.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 71.21 110.341 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.585 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.01 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 71.51 110.988 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.472 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -48.89 -55.37 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 74.42 109.28 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 67.5 m170 -59.81 -52.01 67.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.517 1.136 . . . . 75.3 109.654 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.95 -49.87 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 64.31 109.254 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.13 -37.96 49.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 72.4 110.965 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.577 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -67.9 -35.33 78.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 74.11 111.076 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' 2055 ' ' HIS . 7.3 mm-40 -72.47 -63.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.368 1.042 . . . . 73.43 110.296 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' 2056 ' ' ALA . 15.0 ptm180 -72.09 -14.82 61.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 75.12 110.357 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.54 73.26 0.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.629 1.206 . . . . 64.52 110.974 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 74.3 111.061 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.44 ' O ' ' CG2' ' A' 2064 ' ' THR . 3.5 tt0 -147.5 -72.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.35 1.031 . . . . 63.1 110.392 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' 2063 ' ' GLN . 12.8 p -156.3 176.69 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 74.55 110.353 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -27.63 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 74.42 109.382 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -38.88 78.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 70.21 109.316 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.499 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -78.9 -20.81 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 73.41 110.309 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.2 m -60.2 -26.72 66.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 74.33 110.352 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -32.28 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 75.13 109.939 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.461 ' CE2' HG21 ' A' 2111 ' ' ILE . 32.5 t80 -68.6 -47.91 65.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.456 1.098 . . . . 75.11 111.027 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 4.3 t-20 -71.79 -28.58 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.45 109.31 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.27 -52.4 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 74.12 110.337 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.36 -49.56 5.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 73.11 109.285 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.593 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.2 m-85 -95.34 -16.43 22.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 74.42 110.972 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.25 -33.74 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 72.13 111.075 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2076 ' ' ARG . . . . . 0.554 ' CD ' ' N ' ' A' 2077 ' ' ASP . 0.0 OUTLIER -79.58 -41.28 27.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 62.12 110.322 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' 2076 ' ' ARG . 13.0 m-20 -62.46 -57.84 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.592 1.182 . . . . 53.4 109.362 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 9.1 mp -52.25 -44.3 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 73.44 109.301 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2079 ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.2 OUTLIER -51.36 -49.78 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 71.43 110.952 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.0 tt0 -70.88 -48.17 55.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.04 110.28 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.538 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -53.55 -45.1 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 64.2 109.285 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -63.15 -36.92 85.22 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.572 1.17 . . . . 74.5 110.355 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.536 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -62.91 -35.29 79.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 74.45 110.299 179.896 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.7 m95 -76.87 -25.51 53.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.956 -1.127 . . . . 64.04 107.956 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.616 ' SG ' ' CD1' ' A' 2048 ' ' PHE . 3.3 t -70.97 -58.43 3.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.656 1.222 . . . . 75.25 108.326 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.536 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.9 OUTLIER -66.05 -28.27 68.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 72.23 110.339 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -70.09 -38.27 75.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.41 109.307 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.524 ' CZ ' HD21 ' A' 2097 ' ' LEU . 14.5 t80 -77.1 -40.79 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 64.5 111.038 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 2.6 mtt -60.43 -44.12 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 63.14 111.032 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -56.92 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.354 1.034 . . . . 75.12 109.277 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.91 81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.13 109.962 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -131.89 -140.02 4.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 42.35 110.971 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -149.56 159.59 44.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.51 0.77 . . . . 75.14 109.312 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -36.98 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 73.2 109.246 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -49.6 44.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.44 1.088 . . . . 75.53 109.301 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.401 ' CG ' ' HE2' ' A' 2087 ' ' LYS . 27.5 m-20 -64.78 -39.6 93.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 75.3 109.298 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.524 HD21 ' CZ ' ' A' 2088 ' ' TYR . 0.7 OUTLIER -62.68 -46.79 86.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 73.53 109.31 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.8 m -59.02 -39.7 82.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 72.23 110.449 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2099 ' ' GLN . . . . . 0.402 ' O ' ' CD1' ' A' 2103 ' ' LEU . 1.5 tt0 -60.44 -50.16 74.71 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.633 1.208 . . . . 74.22 110.373 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -54.01 -49.48 68.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.41 109.3 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.49 ' CE2' ' HG3' ' A' 2047 ' ' MET . 0.0 OUTLIER -60.71 -37.09 80.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 74.41 107.997 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.69 -51.32 70.03 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 75.3 109.291 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.5 mp -54.84 -53.96 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 70.41 109.317 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 13.8 m-85 -54.88 -54.51 41.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.5 111.007 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.559 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.76 -38.49 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 75.05 110.961 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -54.47 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.31 109.652 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.593 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -65.87 -49.93 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.18 . . . . 72.52 109.311 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.755 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 16.6 m-85 -61.32 -28.68 69.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.357 1.035 . . . . 73.23 111.033 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.559 ' CB ' ' O ' ' A' 2105 ' ' TYR . 28.1 ttt180 -74.96 -32.61 61.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 73.52 110.306 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -70.28 -51.45 30.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 73.32 110.233 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' 2108 ' ' PHE . 18.1 pt -44.9 -31.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 75.02 109.287 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' 2113 ' ' LYS . 6.0 m -82.43 -57.01 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.31 109.97 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 2113 ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER -39.81 134.33 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 74.32 109.333 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 74.12 110.297 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 11.8 mtt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.62 0.248 . . . . 74.32 110.989 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.19 -11.23 11.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 74.54 110.269 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.8 55.04 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 73.44 109.24 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 21.9 mm -120.94 138.66 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 75.13 109.28 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.61 177.44 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 74.31 110.33 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' 2020 ' ' PRO . 75.8 t -74.25 142.89 79.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.41 109.332 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' 2021 ' ' ILE . 18.2 Cg_endo -75.07 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 75.11 111.019 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.509 ' O ' ' CD2' ' A' 2022 ' ' LEU . 0.0 OUTLIER -106.12 88.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 73.4 109.295 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -173.77 164.09 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 75.12 109.258 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.589 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.4 m0 -49.15 -48.09 45.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.114 . . . . 72.22 107.991 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.0 m170 -47.15 -22.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 75.02 109.554 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' 2022 ' ' LEU . 14.2 tp10 -70.27 -37.57 74.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 73.41 110.346 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -73.93 -32.36 63.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.622 1.201 . . . . 61.52 111.028 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 61.7 m95 -68.1 -50.15 56.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.97 -1.122 . . . . 75.34 107.97 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -43.7 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 75.34 109.596 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' 2025 ' ' GLU . 5.9 mm-40 -66.49 -40.92 89.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.578 1.174 . . . . 72.25 110.339 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -56.47 -61.95 6.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 74.42 110.952 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.754 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 3.3 mt -59.33 -32.84 70.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 75.42 109.32 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -54.36 38.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.13 110.319 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 74.41 110.291 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.85 -44.98 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 74.45 109.293 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.7 p -74.31 -47.82 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 75.52 109.944 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -51.19 -51.16 56.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 74.41 110.301 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' 2041 ' ' GLU . 2.9 pp -66.78 -43.34 84.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 72.52 109.343 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.446 ' N ' HD11 ' A' 2037 ' ' LEU . 48.1 t80 -55.73 -48.75 74.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.327 1.017 . . . . 71.41 111.009 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -76.53 -46.46 26.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 71.44 110.972 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -80.38 -71.22 1.29 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.129 . . . . 61.13 111.006 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' 2037 ' ' LEU . 0.5 OUTLIER -48.3 -46.78 36.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.369 0.688 . . . . 73.11 110.383 179.916 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' A' 2041 ' ' GLU . 0.1 OUTLIER 85.83 14.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.078 . . . . 75.11 110.242 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.6 m-20 -116.31 104.37 11.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.16 . . . . 75.42 109.279 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.588 HG12 ' CE2' ' A' 2048 ' ' PHE . 42.8 t -60.96 -25.69 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 75.41 109.338 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -50.61 -33.66 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 72.3 109.309 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -63.33 -53.86 36.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.542 1.151 . . . . 53.44 111.04 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.624 ' CE ' ' CE1' ' A' 2048 ' ' PHE . 8.7 tmm? -52.93 -41.93 64.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.565 0.803 . . . . 74.44 111.032 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.624 ' CE1' ' CE ' ' A' 2047 ' ' MET . 14.7 m-85 -68.3 -37.18 80.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 74.51 111.013 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 33.8 mt-10 -76.17 -14.02 60.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.45 110.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.57 ' C ' ' HD2' ' A' 2053 ' ' PRO . 17.5 t -84.41 -44.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 75.21 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.61 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.56 -45.56 30.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 73.42 109.286 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.11 -55.21 1.02 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 73.22 110.392 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.57 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.99 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 75.12 110.988 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.478 ' HG ' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -48.94 -56.27 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 72.03 109.329 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' 2051 ' ' LEU . 27.0 m170 -58.88 -52.48 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.063 . . . . 63.34 109.585 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.73 -50.2 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 53.51 109.293 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.522 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.14 -37.23 45.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 65.54 111.011 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.3 mmt -68.93 -32.49 72.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.546 1.154 . . . . 75.24 110.995 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.09 -64.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.32 110.278 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.9 OUTLIER -71.24 -16.96 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 75.33 110.3 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.26 76.35 0.32 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.595 1.185 . . . . 32.31 111.017 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.389 1.731 . . . . 71.23 111.014 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.477 ' O ' ' CG2' ' A' 2064 ' ' THR . 2.2 tp60 -151.78 -76.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.32 110.349 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' 2063 ' ' GLN . 39.9 p -156.27 179.92 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 74.53 110.388 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2065 ' ' LEU . . . . . 0.402 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -59.87 -27.86 67.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.11 109.326 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -35.21 80.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 73.53 109.254 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -22.45 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 73.4 110.318 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' 2072 ' ' GLN . 1.0 OUTLIER -60.35 -36.62 78.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.31 110.542 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 37.8 m -73.37 -32.0 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 75.0 109.963 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.423 ' CE1' HG21 ' A' 2111 ' ' ILE . 71.6 t80 -66.26 -52.19 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 73.32 111.062 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.506 ' O ' ' CA ' ' A' 2075 ' ' GLY . 2.0 t-20 -66.0 -29.08 69.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 72.21 109.302 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2072 ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' 2068 ' ' THR . 4.9 mm-40 -78.11 -51.44 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 74.24 110.329 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.25 -53.55 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 42.41 109.222 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.639 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.6 m-85 -92.78 -17.42 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 74.32 110.965 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.16 -29.79 0.23 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.612 1.195 . . . . 72.32 110.994 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.83 -45.42 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 71.35 110.232 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.456 ' CB ' HG13 ' A' 2107 ' ' VAL . 3.4 m-20 -62.09 -58.09 9.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.32 109.377 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 9.8 mp -52.95 -36.1 59.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 71.34 109.314 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2079 ' ' MET . . . . . 0.43 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.0 OUTLIER -56.36 -53.84 52.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.433 1.083 . . . . 73.43 110.994 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.53 ' HG3' ' CD1' ' A' 2103 ' ' LEU . 2.8 pt-20 -72.38 -36.62 68.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.434 1.084 . . . . 74.32 110.243 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.52 ' N ' ' HG2' ' A' 2080 ' ' GLU . . . -63.28 -41.9 99.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 72.1 109.354 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -33.57 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 70.23 110.309 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -36.71 79.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 71.22 110.266 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' 2080 ' ' GLU . 97.1 m95 -67.76 -37.03 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.54 108.121 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.2 t -61.04 -50.65 72.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 74.13 108.383 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -41.56 86.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 74.53 110.261 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.24 -46.12 79.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 75.31 109.289 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 1.2 t80 -69.78 -46.69 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 75.45 111.041 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.572 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.7 mtt -58.38 -27.55 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 72.21 111.062 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -56.23 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 72.45 109.309 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 38.3 m -78.14 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 62.15 110.024 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.57 86.23 1.92 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 74.33 111.014 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.77 118.79 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 75.35 109.303 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -53.79 -30.6 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.592 1.183 . . . . 63.22 109.29 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.14 -50.28 73.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 72.54 109.241 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' 2096 ' ' ASP . 0.0 OUTLIER -67.5 -39.71 85.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.351 1.032 . . . . 54.03 109.238 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.558 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 12.5 tp -62.59 -43.0 99.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 74.23 109.308 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 19.4 m -61.07 -47.25 87.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.645 1.216 . . . . 50.42 110.389 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -45.69 81.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 74.23 110.253 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.0 88.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.22 109.335 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.438 ' O ' ' HB2' ' A' 2105 ' ' TYR . 0.0 OUTLIER -63.69 -30.44 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 75.23 108.071 179.888 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.18 -48.65 67.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 71.23 109.319 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.53 ' CD1' ' HG3' ' A' 2080 ' ' GLU . 14.2 mt -57.64 -51.63 68.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 75.44 109.301 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' 2081 ' ' ALA . 19.7 m-85 -54.35 -55.67 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 74.04 110.962 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.85 -38.89 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 72.41 110.996 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.94 -54.2 49.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 74.43 109.512 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -68.18 -49.03 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 74.23 109.348 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.754 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 13.6 m-85 -60.34 -29.06 68.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 62.2 110.959 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' A' 2105 ' ' TYR . 1.7 ttm105 -75.29 -35.0 61.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 74.05 110.352 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -67.31 -51.48 52.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 74.42 110.229 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.521 ' CG1' ' O ' ' A' 2108 ' ' PHE . 17.1 pt -45.26 -33.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.2 109.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 72.9 m -88.16 -52.92 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 72.14 109.948 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.35 127.79 4.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 74.11 109.338 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 71.24 110.342 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 8.0 mtm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.533 0.206 . . . . 74.42 111.008 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.01 -8.85 14.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 73.34 110.181 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 5.8 mp 65.84 -114.74 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 72.53 109.306 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.21 155.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 75.44 109.351 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' 2019 ' ' VAL . 0.2 OUTLIER 179.56 136.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 74.5 110.321 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.477 ' O ' ' CD1' ' A' 2022 ' ' LEU . 0.1 OUTLIER -124.4 124.07 25.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 71.51 109.293 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' 2021 ' ' ILE . 18.6 Cg_endo -75.07 -21.15 16.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.582 1.833 . . . . 74.14 110.978 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' 2021 ' ' ILE . 0.0 OUTLIER -109.6 97.81 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.486 1.116 . . . . 74.04 109.321 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.667 ' CD1' ' N ' ' A' 2022 ' ' LEU . 0.0 OUTLIER -176.86 -158.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 74.42 109.283 -179.965 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.533 ' CG ' ' HE1' ' A' 2058 ' ' MET . 9.9 m0 -43.95 -52.38 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 73.12 108.053 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.516 ' CG ' HD21 ' A' 2022 ' ' LEU . 17.8 m170 -44.07 -37.49 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.517 1.135 . . . . 74.42 109.645 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' A' 2022 ' ' LEU . 0.8 OUTLIER -60.21 -36.32 77.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 54.24 110.266 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.512 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -71.4 -29.65 65.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 72.41 111.008 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.564 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 79.3 m95 -71.94 -48.52 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.103 -1.073 . . . . 74.44 108.103 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 m170 -62.94 -59.48 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 63.13 109.608 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.2 tt0 -59.29 -46.45 88.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 75.52 110.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.16 -63.69 4.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 73.23 110.99 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' 2108 ' ' PHE . 4.3 tp -58.02 -30.39 66.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 0.81 . . . . 75.22 109.291 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.509 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.45 -46.81 76.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 72.14 110.318 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.509 ' N ' ' HG2' ' A' 2032 ' ' GLU . 1.3 tt0 -73.01 -50.51 22.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 64.14 110.34 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.484 ' HB2' ' CG ' ' A' 2047 ' ' MET . . . -56.3 -48.9 75.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 75.23 109.283 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 13.0 t -57.64 -43.33 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.42 1.075 . . . . 54.11 110.032 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.444 ' O ' ' CA ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -59.35 -34.99 73.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 75.12 110.205 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.413 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 2.6 mt -70.22 -35.09 73.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 65.04 109.303 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -82.28 -55.9 4.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 72.15 111.01 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -73.13 -47.64 42.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 75.32 111.08 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -67.35 -57.98 8.53 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.42 1.075 . . . . 53.14 111.007 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' 2037 ' ' LEU . 2.0 mt-10 -111.09 -178.82 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.698 0.881 . . . . 75.41 110.272 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -110.52 27.83 9.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 74.12 110.228 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.476 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 28.6 m-20 -113.16 94.61 4.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 63.3 109.28 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.609 HG13 ' CE2' ' A' 2048 ' ' PHE . 14.4 t -67.9 -19.65 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 72.1 109.231 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.476 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.77 -40.58 55.29 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.533 1.146 . . . . 72.43 109.332 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' 2049 ' ' GLU . . . -52.26 -52.94 33.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.625 1.203 . . . . 74.51 110.981 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' 2034 ' ' ALA . 11.4 tmm? -56.77 -52.88 63.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 74.31 111.028 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.664 ' CD2' ' CE ' ' A' 2089 ' ' MET . 5.9 m-85 -51.38 -46.08 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 72.21 111.068 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.4 pt-20 -73.2 -14.54 61.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 75.13 110.344 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.577 ' C ' ' HD2' ' A' 2053 ' ' PRO . 24.1 t -87.68 -43.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 75.31 109.361 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.6 ' HB3' ' CE1' ' A' 2055 ' ' HIS . 0.4 OUTLIER -78.01 -39.21 42.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 74.11 109.301 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -42.59 -55.08 7.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 71.02 110.328 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.577 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -75.0 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.657 1.872 . . . . 73.24 110.975 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.465 ' CD2' ' SD ' ' A' 2026 ' ' MET . 43.8 mt -48.96 -55.42 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 75.21 109.32 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.6 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 35.1 m170 -60.6 -53.04 62.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 75.03 109.526 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.95 -49.73 59.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 70.13 109.269 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.547 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.38 -38.48 53.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 74.15 111.013 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.533 ' HE1' ' CG ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -70.26 -30.02 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 75.53 110.99 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.2 mm-40 -77.77 -63.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 71.31 110.258 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.9 ptm180 -72.73 -21.77 60.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 74.13 110.272 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.547 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.83 83.68 0.34 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.439 1.087 . . . . 50.14 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.96 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.778 . . . . 71.44 111.027 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 16.6 tp60 -144.76 -71.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 73.44 110.233 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 5.3 t -162.2 175.79 11.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 72.34 110.417 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -39.72 69.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 73.13 109.278 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -57.37 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 70.15 109.271 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 1.7 tp10 -63.63 -31.81 73.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 74.42 110.298 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 29.6 m -54.79 -32.61 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 74.43 110.379 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 75.1 109.97 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.495 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 48.5 t80 -62.81 -53.06 60.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 74.44 110.946 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.72 -29.83 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 75.35 109.277 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -77.41 -53.88 7.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 72.23 110.321 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -52.63 -32.85 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.53 109.324 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.495 ' CE2' ' CE1' ' A' 2070 ' ' PHE . 3.0 m-85 -90.92 -30.8 16.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 72.34 111.113 179.874 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -42.46 -27.85 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 73.41 110.961 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -44.28 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 0.805 . . . . 75.15 110.294 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' 2074 ' ' TYR . 48.0 m-20 -67.09 -55.09 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 75.33 109.304 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.463 HD13 HG12 ' A' 2107 ' ' VAL . 4.5 mp -52.39 -43.87 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 73.55 109.249 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.4 ttm -56.05 -50.76 70.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 74.43 110.996 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.503 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.2 tt0 -65.62 -49.23 69.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 74.43 110.361 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.586 ' HB3' ' CE2' ' A' 2104 ' ' TYR . . . -55.85 -42.14 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.435 1.084 . . . . 73.43 109.381 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2082 ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.9 OUTLIER -61.27 -36.98 81.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 72.22 110.302 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.492 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 73.41 110.294 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.434 ' HB2' ' CB ' ' A' 2100 ' ' ALA . 98.0 m95 -74.86 -24.12 58.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 75.22 107.963 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.608 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.44 -58.86 4.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 54.15 108.24 -179.895 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.6 OUTLIER -62.09 -28.44 69.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 73.44 110.27 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.49 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -61.66 -50.59 71.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 73.34 109.27 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' 2092 ' ' GLY . 0.5 OUTLIER -71.16 -42.57 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 75.13 111.04 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.664 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -55.46 -36.28 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 64.32 110.953 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -56.82 2.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 74.2 109.326 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.2 t -63.0 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 63.54 110.027 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.4 82.98 1.67 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 65.22 110.97 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t30 -162.59 113.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 75.03 109.328 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.3 t -52.46 -28.41 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 71.02 109.294 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -53.06 47.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.33 109.356 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.2 -34.62 78.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 72.2 109.232 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.433 ' CD1' HG12 ' A' 2044 ' ' VAL . 0.3 OUTLIER -65.41 -44.52 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.51 109.304 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -59.53 -52.32 66.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 70.42 110.438 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -52.77 -49.15 66.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 71.24 110.271 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 2100 ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' 2084 ' ' TRP . . . -57.89 -48.17 80.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 65.05 109.246 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.56 -32.98 70.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 75.12 108.058 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -51.58 69.0 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.621 1.201 . . . . 75.4 109.278 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.503 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.8 mp -56.18 -52.86 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 73.42 109.279 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' 2081 ' ' ALA . 6.8 m-85 -57.31 -46.04 83.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.45 110.916 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.969 ' HH ' ' NH2' ' A' 2109 ' ' ARG . 1.1 t80 -49.96 -45.9 51.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.54 110.978 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2106 ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' 2110 ' ' ARG . 18.2 t-160 -63.47 -42.55 98.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 53.23 109.59 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.463 HG12 HD13 ' A' 2078 ' ' LEU . 2.1 t -60.35 -55.62 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 71.31 109.265 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.598 ' CD2' HD23 ' A' 2031 ' ' LEU . 12.7 m-85 -69.11 -27.21 65.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 63.33 111.08 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.969 ' NH2' ' HH ' ' A' 2105 ' ' TYR . 34.3 ttm-85 -77.04 -25.13 52.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.14 110.254 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2110 ' ' ARG . . . . . 0.445 ' HB3' ' OH ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -78.45 -51.08 10.53 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.389 1.056 . . . . 71.42 110.266 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.508 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 13.0 pt -42.44 -29.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 73.23 109.304 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' 2110 ' ' ARG . 70.3 p -91.94 -50.1 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 73.45 110.01 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.83 167.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.13 109.321 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.129 . . . . 75.43 110.271 -179.977 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.493 0.187 . . . . 73.13 110.982 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.62 -15.03 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 73.15 110.237 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 70.2 7.82 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.621 1.201 . . . . 74.32 109.29 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' 2018 ' ' ARG . 3.5 mp 61.82 141.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 74.52 109.267 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.413 ' N ' HG21 ' A' 2017 ' ' ILE . 9.1 mmp_? -120.3 130.55 54.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 72.41 110.245 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.437 ' CG1' ' HD2' ' A' 2020 ' ' PRO . 65.1 t -131.38 142.51 45.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.404 1.065 . . . . 65.42 109.245 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.518 ' HG2' ' CD1' ' A' 2021 ' ' ILE . 18.3 Cg_endo -75.02 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.438 1.757 . . . . 75.12 110.992 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.518 ' CD1' ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -100.91 100.9 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 64.43 109.259 -179.974 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -177.44 -157.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 63.13 109.329 179.93 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.616 ' CZ3' ' CG ' ' A' 2067 ' ' GLU . 3.8 m0 -66.57 -54.0 28.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 74.54 107.985 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.6 m80 -45.63 -24.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 64.24 109.561 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.1 tt0 -69.94 -36.12 75.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 73.01 110.253 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.491 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -75.79 -32.12 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.12 110.984 -179.958 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.624 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 63.2 m95 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.33 108.056 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -58.7 4.51 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.125 . . . . 75.41 109.548 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.66 -44.68 95.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 71.42 110.377 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.15 -64.36 4.06 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.523 1.139 . . . . 61.05 111.033 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.616 ' CD2' ' CD2' ' A' 2108 ' ' PHE . 5.0 tp -58.15 -29.64 65.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 73.42 109.296 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.17 -52.15 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 71.22 110.322 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.84 -51.27 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 74.53 110.285 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' 2047 ' ' MET . . . -53.42 -49.44 67.31 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.319 1.012 . . . . 74.44 109.228 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.466 ' OG ' ' CD1' ' A' 2039 ' ' PHE . 19.0 t -61.4 -42.02 98.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 73.4 110.089 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.495 ' O ' ' CA ' ' A' 2040 ' ' GLY . 48.4 ttt85 -55.1 -36.85 66.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 73.23 110.374 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.519 ' CD2' ' HB3' ' A' 2042 ' ' ARG . 4.9 mt -71.52 -39.68 70.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 74.32 109.305 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -75.19 -56.53 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 73.34 111.027 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2039 ' ' PHE . . . . . 0.466 ' CD1' ' OG ' ' A' 2035 ' ' SER . 41.0 m-85 -74.41 -47.18 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 71.13 110.982 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -78.98 -2.1 86.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.575 1.172 . . . . 64.22 111.095 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' 2042 ' ' ARG . 9.7 tt0 59.91 142.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.463 0.743 . . . . 72.24 110.329 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' 2041 ' ' GLU . 0.0 OUTLIER 172.62 -57.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.449 1.093 . . . . 75.23 110.276 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2046 ' ' GLY . 0.1 OUTLIER 170.16 109.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 75.14 109.305 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.4 t -46.53 -31.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.479 ' HD3' ' HE2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -55.26 -34.34 63.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 75.44 109.276 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.478 ' N ' ' HG3' ' A' 2045 ' ' LYS . . . -57.41 -55.08 32.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 74.14 110.969 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.463 ' SD ' ' NE1' ' A' 2101 ' ' TRP . 24.4 ttp -54.64 -54.8 36.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 0.732 . . . . 74.3 111.052 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.681 ' CD2' ' CE ' ' A' 2089 ' ' MET . 9.3 m-85 -52.46 -36.93 55.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 72.11 110.973 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.55 ' O ' ' CD ' ' A' 2053 ' ' PRO . 22.7 mt-10 -76.59 -16.19 59.65 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.472 1.107 . . . . 73.25 110.27 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.557 ' C ' ' HD2' ' A' 2053 ' ' PRO . 2.6 t -86.15 -41.93 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 71.43 109.307 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.1 OUTLIER -78.1 -44.6 25.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.5 109.33 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -37.3 -54.74 1.95 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 75.31 110.374 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.557 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.1 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 54.42 110.959 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.519 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 19.6 mt -49.07 -57.73 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.42 109.345 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 38.4 m170 -59.53 -50.45 73.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 73.5 109.593 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.57 -47.07 67.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 74.52 109.216 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.525 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.71 -39.78 58.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 75.12 110.953 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.612 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 3.6 mmt -70.32 -30.27 67.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 75.23 110.916 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.08 -63.14 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 73.34 110.306 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' 2056 ' ' ALA . 13.5 ptt180 -74.74 -16.01 60.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 74.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.2 74.19 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 72.13 110.971 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 64.1 110.989 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.16 -70.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 75.44 110.324 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' 2067 ' ' GLU . 6.8 t -171.91 170.82 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 75.31 110.382 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -29.34 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 75.51 109.309 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -68.49 -37.51 80.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 75.32 109.205 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.616 ' CG ' ' CZ3' ' A' 2023 ' ' TRP . 2.6 tp10 -85.42 -21.33 28.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 73.04 110.294 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' 2072 ' ' GLN . 15.3 m -55.41 -32.17 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 64.23 110.435 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -33.44 73.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.627 1.204 . . . . 74.25 110.002 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.404 ' HE1' ' CZ2' ' A' 2027 ' ' TRP . 42.1 t80 -66.73 -53.27 35.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 72.42 111.063 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.544 ' O ' ' CA ' ' A' 2075 ' ' GLY . 3.8 t30 -62.39 -30.21 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 73.51 109.263 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2072 ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' 2068 ' ' THR . 6.9 mm-40 -79.17 -49.97 11.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 72.41 110.302 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.81 -54.16 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 75.34 109.387 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.661 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.8 m-85 -93.32 -19.81 20.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 74.51 110.953 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.544 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.46 -30.26 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 72.31 111.03 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.6 OUTLIER -80.92 -44.74 17.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.513 0.772 . . . . 74.23 110.252 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' 2074 ' ' TYR . 23.5 m-20 -61.03 -58.96 6.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.353 1.033 . . . . 60.13 109.269 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 8.6 mp -50.93 -44.53 60.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.3 109.198 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2079 ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.2 mtt -50.83 -49.46 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 75.31 110.992 -179.867 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 15.6 tt0 -71.93 -47.42 52.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.15 110.297 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.449 ' N ' HD22 ' A' 2103 ' ' LEU . . . -54.88 -42.66 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 74.34 109.318 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2082 ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' 2085 ' ' CYS . 3.9 tt0 -64.9 -37.48 87.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 72.31 110.317 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -39.61 94.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 51.44 110.253 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.0 m95 -69.28 -34.03 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.934 -1.135 . . . . 74.23 107.934 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.8 t -58.29 -56.59 20.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 65.04 108.337 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -40.01 71.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 74.22 110.271 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' 2091 ' ' SER . 1.6 mtpp -57.67 -46.71 83.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 71.52 109.277 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.48 ' CE1' HD22 ' A' 2097 ' ' LEU . 7.2 t80 -73.37 -34.31 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 74.12 111.056 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.681 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.7 mtt -65.13 -35.32 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 71.23 110.931 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -56.96 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 73.45 109.232 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.9 t -62.97 -64.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 72.23 109.991 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 97.89 79.3 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 55.5 111.033 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.93 109.56 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 73.54 109.341 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -48.19 -35.59 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.624 1.202 . . . . 74.24 109.258 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.4 tttp -49.66 -52.25 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 73.23 109.216 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.3 109.326 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.48 HD22 ' CE1' ' A' 2088 ' ' TYR . 11.8 tp -63.74 -47.88 79.28 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 75.03 109.292 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 25.8 m -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 75.34 110.368 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -47.18 85.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 74.35 110.324 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.88 97.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 63.3 109.341 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.463 ' NE1' ' SD ' ' A' 2047 ' ' MET . 1.9 m95 -60.74 -41.04 94.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.961 -1.125 . . . . 74.34 107.961 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -50.2 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 73.43 109.278 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 4.9 mp -54.23 -54.18 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 72.24 109.328 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.456 ' O ' HG21 ' A' 2107 ' ' VAL . 11.8 m-85 -54.99 -57.75 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 73.33 111.074 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -50.04 -33.33 17.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 74.04 111.024 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -52.99 59.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 72.42 109.541 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.661 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.4 m -68.67 -45.35 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 74.53 109.271 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.624 ' CE1' ' CE3' ' A' 2027 ' ' TRP . 14.4 m-85 -64.51 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.12 111.038 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.55 ' CB ' ' O ' ' A' 2105 ' ' TYR . 5.3 ttm-85 -78.01 -34.33 50.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 72.14 110.3 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.12 -51.41 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 75.23 110.289 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.531 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 18.1 pt -44.73 -38.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 73.31 109.288 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.1 OUTLIER -82.94 -53.23 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 71.45 109.993 -179.922 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2113 ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER -39.93 133.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 71.1 109.28 179.936 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.31 110.246 179.981 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.369 0.128 . . . . 74.4 110.952 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.56 -6.23 10.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.622 1.201 . . . . 74.33 110.299 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.51 164.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 75.31 109.24 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 12.0 tt -41.54 145.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 74.11 109.337 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' 2019 ' ' VAL . 5.1 ttp85 -129.75 121.25 26.49 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.491 1.119 . . . . 72.5 110.284 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.565 ' O ' ' CD1' ' A' 2022 ' ' LEU . 52.2 t -39.99 144.57 0.52 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 75.1 109.318 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.492 ' HD2' ' CG1' ' A' 2019 ' ' VAL . 18.8 Cg_endo -75.03 -69.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.472 1.775 . . . . 70.34 111.062 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 1.5 pp -91.67 121.3 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 75.34 109.368 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.614 HD21 ' N ' ' A' 2024 ' ' HIS . 0.0 OUTLIER -163.85 172.34 14.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 73.11 109.269 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.615 ' CG ' ' CE ' ' A' 2058 ' ' MET . 4.8 m0 -48.29 -50.7 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 72.55 108.025 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.614 ' N ' HD21 ' A' 2022 ' ' LEU . 1.4 m170 -44.51 -25.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 73.51 109.579 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' 2022 ' ' LEU . 3.9 tp10 -70.07 -36.7 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 71.32 110.259 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.655 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.0 OUTLIER -70.56 -39.01 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 74.23 111.018 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.655 ' CD1' ' SD ' ' A' 2026 ' ' MET . 41.7 m95 -65.94 -46.29 78.71 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.958 -1.127 . . . . 75.5 107.958 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -58.49 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 73.22 109.641 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.36 -42.67 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.412 1.07 . . . . 70.22 110.345 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.483 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.68 -64.47 3.88 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.43 1.081 . . . . 74.34 110.965 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.756 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 4.9 mt -56.32 -32.16 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 73.42 109.278 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -53.88 40.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 65.05 110.326 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.62 -48.0 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 71.21 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.44 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -52.47 -49.13 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 71.34 109.329 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 2031 ' ' LEU . 8.0 t -60.69 -48.21 82.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 73.32 109.97 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' 2040 ' ' GLY . 1.1 ttt-85 -50.99 -34.76 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 71.43 110.342 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.516 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 2.0 mt -71.44 -49.47 41.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 75.15 109.384 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' 2042 ' ' ARG . 85.3 t80 -54.68 -55.35 30.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 70.32 110.991 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -74.78 -31.52 61.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 62.51 110.952 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -50.14 -69.07 1.16 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.512 1.133 . . . . 63.12 110.972 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' 2042 ' ' ARG . 0.0 OUTLIER -145.18 53.89 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 0.821 . . . . 72.24 110.403 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' 2041 ' ' GLU . 10.8 mmt85 35.76 40.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.08 . . . . 72.21 110.29 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -109.29 88.59 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 71.21 109.321 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.477 ' CG2' HD11 ' A' 2097 ' ' LEU . 34.1 m -70.43 -16.64 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.513 1.133 . . . . 75.01 109.237 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.56 -45.23 56.92 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.525 1.141 . . . . 73.05 109.274 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.516 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -52.82 -54.05 30.18 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.142 . . . . 72.32 110.944 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.471 ' O ' ' HG ' ' A' 2051 ' ' LEU . 7.3 tmm? -52.83 -52.21 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 64.32 111.057 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.541 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 10.5 m-85 -51.95 -40.93 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 73.5 111.049 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 27.1 mt-10 -76.69 -15.33 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 75.51 110.333 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.567 ' C ' ' HD2' ' A' 2053 ' ' PRO . 5.9 t -87.43 -43.26 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.43 109.302 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.582 ' HB3' ' CE1' ' A' 2055 ' ' HIS . 0.3 OUTLIER -77.21 -39.58 48.14 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 74.1 109.356 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.2 OUTLIER -41.93 -55.72 5.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 75.01 110.293 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.567 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.9 -50.78 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.512 1.796 . . . . 71.42 111.05 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.483 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 13.8 mt -49.02 -55.3 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 73.12 109.301 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 61.6 m170 -60.74 -53.7 54.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 73.21 109.628 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -49.63 -48.79 48.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 64.53 109.266 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.524 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -52.44 -39.99 61.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 71.31 110.985 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.615 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -70.39 -28.15 64.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 75.05 111.062 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' 2055 ' ' HIS . 2.3 mm-40 -77.19 -63.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 71.13 110.37 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -74.92 -20.87 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.43 110.291 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.5 0.3 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.578 1.174 . . . . 71.53 111.013 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.513 1.796 . . . . 73.25 111.031 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.412 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.0 OUTLIER -139.91 -62.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.684 1.24 . . . . 73.52 110.264 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' 2067 ' ' GLU . 1.1 t 179.59 169.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 64.11 110.393 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.96 -28.61 10.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 74.25 109.425 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 12.8 tttp -70.1 -35.07 73.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 72.03 109.33 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' 2064 ' ' THR . 15.0 mm-40 -86.92 -19.43 28.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.48 1.112 . . . . 71.2 110.278 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' 2072 ' ' GLN . 17.5 m -57.9 -29.62 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 74.13 110.32 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 88.3 p -74.87 -34.22 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.368 1.043 . . . . 73.23 109.963 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.48 ' CZ ' HG22 ' A' 2111 ' ' ILE . 41.3 t80 -66.29 -46.35 77.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 73.34 110.912 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' 2075 ' ' GLY . 36.3 t30 -73.22 -27.86 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.31 109.361 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2072 ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' 2068 ' ' THR . 26.4 mt-30 -78.78 -54.53 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.04 110.28 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.27 -42.87 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 74.01 109.305 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.624 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 16.8 m-85 -99.71 -18.92 17.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 75.22 111.0 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -40.7 -29.54 0.27 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 74.04 111.028 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2076 ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' 2074 ' ' TYR . 1.8 ttm180 -77.74 -46.25 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 75.32 110.396 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' 2074 ' ' TYR . 18.1 m-20 -62.94 -57.07 12.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.23 109.336 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 10.0 mp -51.3 -45.55 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.641 1.213 . . . . 75.42 109.341 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 16.9 mmm -51.0 -51.15 55.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 75.01 110.994 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 25.2 tt0 -71.57 -48.76 46.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.32 110.353 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.15 -42.29 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 70.33 109.325 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.65 -40.03 95.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 73.4 110.323 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.614 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -58.16 -39.6 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 64.21 110.348 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.448 ' O ' ' OD1' ' A' 2096 ' ' ASP . 97.2 m95 -71.58 -31.46 66.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 73.41 107.999 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.541 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 9.2 t -68.6 -59.45 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 73.51 108.287 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.614 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.2 OUTLIER -62.01 -35.64 79.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 63.42 110.324 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.12 -31.57 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 74.32 109.254 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' 2088 ' ' TYR . 0.2 OUTLIER -78.73 -32.41 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 64.52 111.08 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.539 ' HE1' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -71.98 -33.96 68.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 74.34 110.983 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -21.44 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 74.52 109.122 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 22.9 t -112.97 -75.19 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 72.33 109.953 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 110.23 110.61 3.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.448 1.092 . . . . 73.24 110.876 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -170.26 113.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 0.707 . . . . 71.05 109.305 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2094 ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' 2095 ' ' LYS . 1.4 p -53.63 -44.28 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 65.12 109.352 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2095 ' ' LYS . . . . . 0.409 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.0 OUTLIER -49.1 -47.06 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 71.33 109.299 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.539 ' OD2' ' C ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -64.01 -40.16 95.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 71.55 109.293 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' 2088 ' ' TYR . 0.8 OUTLIER -57.72 -47.28 82.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 75.23 109.294 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.9 m -59.89 -43.79 94.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.64 1.213 . . . . 63.44 110.372 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -49.3 78.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 73.03 110.385 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.12 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 71.35 109.34 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' 2105 ' ' TYR . 0.2 OUTLIER -58.2 -32.01 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.114 . . . . 74.22 107.991 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.18 -51.68 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 60.21 109.323 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.4 mp -54.06 -52.86 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.354 1.034 . . . . 75.54 109.302 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.46 ' O ' HG21 ' A' 2107 ' ' VAL . 10.3 m-85 -54.89 -56.37 20.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.11 111.041 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.566 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.56 -35.63 9.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 75.24 111.038 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -54.68 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 74.22 109.602 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.624 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.4 m -67.98 -48.43 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.188 . . . . 73.52 109.348 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.756 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 19.4 m-85 -60.75 -29.34 69.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 71.31 111.059 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.566 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.7 ttm180 -74.23 -38.67 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 72.02 110.362 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -63.78 -51.38 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 61.14 110.293 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.51 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 23.5 pt -48.0 -31.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 54.14 109.324 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.444 ' C ' ' N ' ' A' 2114 ' ' GLN . 29.9 t -88.28 -59.48 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 70.23 109.965 -179.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.43 -29.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.176 . . . . 73.01 109.279 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 2114 ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' 2112 ' ' SER . 2.7 tp60 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.558 1.161 . . . . 65.23 110.219 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.678 0.275 . . . . 73.13 111.002 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.65 -3.64 10.32 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.347 1.029 . . . . 61.31 110.331 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 139.13 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 75.04 109.408 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' 2018 ' ' ARG . 1.3 mt 65.9 -84.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 74.22 109.337 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' 2017 ' ' ILE . 0.1 OUTLIER -47.19 103.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 75.24 110.328 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 2.5 p -40.61 128.45 1.85 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.583 1.177 . . . . 74.05 109.284 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 -36.96 2.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.767 . . . . 74.23 111.076 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 6.8 mm -86.77 80.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.187 . . . . 65.22 109.429 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' 2024 ' ' HIS . 0.5 OUTLIER 179.31 147.52 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 73.32 109.272 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.64 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.4 m0 -53.51 -44.69 69.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 73.1 108.034 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.459 ' CE1' ' CD2' ' A' 2022 ' ' LEU . 4.7 m80 -48.2 -23.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 75.51 109.593 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' 2022 ' ' LEU . 22.4 tp10 -68.42 -34.26 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 52.21 110.289 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.675 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.4 OUTLIER -78.36 -33.67 48.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 75.54 110.954 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.675 ' CD1' ' SD ' ' A' 2026 ' ' MET . 6.1 m95 -74.83 -37.03 62.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 75.23 107.981 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.8 OUTLIER -68.22 -58.92 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 74.21 109.613 179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.45 ' N ' ' CD2' ' A' 2028 ' ' HIS . 8.1 pt-20 -68.79 -30.12 68.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 70.34 110.378 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.33 -64.55 4.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 72.31 110.899 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.75 ' HG ' ' CE1' ' A' 2108 ' ' PHE . 5.4 mt -61.59 -32.04 72.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 75.4 109.311 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' 2036 ' ' ARG . 0.0 OUTLIER -53.68 -49.41 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.363 1.04 . . . . 75.12 110.367 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.543 ' HE2' ' HB3' ' A' 2037 ' ' LEU . 0.0 OUTLIER -78.67 -44.6 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.628 1.205 . . . . 74.35 110.373 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.497 ' HB2' ' CB ' ' A' 2047 ' ' MET . . . -58.13 -43.27 87.15 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.473 1.108 . . . . 72.53 109.383 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' 2031 ' ' LEU . 59.5 p -77.14 -46.72 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 71.15 110.113 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' 2032 ' ' GLU . 1.3 tmt_? -51.97 -45.87 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 73.4 110.27 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.543 ' HB3' ' HE2' ' A' 2033 ' ' GLU . 1.6 pp -71.5 -44.8 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.442 ' N ' HD13 ' A' 2037 ' ' LEU . 38.9 t80 -53.23 -53.31 52.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 71.52 110.938 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2039 ' ' PHE . . . . . 0.409 ' CD1' ' HD2' ' A' 2038 ' ' TYR . 12.4 m-85 -71.03 -33.62 70.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.482 1.114 . . . . 74.32 110.948 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -71.64 -30.91 65.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.573 1.171 . . . . 72.31 111.011 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' 2037 ' ' LEU . 0.7 OUTLIER -153.52 141.72 20.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 0.79 . . . . 65.14 110.313 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.85 58.35 0.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 74.22 110.299 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.0 m120 -121.76 82.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 75.11 109.291 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.634 HG12 ' CE2' ' A' 2048 ' ' PHE . 40.9 t -62.2 -13.17 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 73.23 109.327 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -70.46 -39.17 74.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.41 109.336 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' 2049 ' ' GLU . . . -56.06 -56.82 22.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 62.21 111.059 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.497 ' CB ' ' HB2' ' A' 2034 ' ' ALA . 0.1 OUTLIER -59.52 -41.58 90.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 63.23 110.98 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.662 ' HB3' ' HE2' ' A' 2052 ' ' GLU . 3.0 m-30 -61.77 -41.65 97.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 75.33 111.04 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.566 ' O ' ' CD ' ' A' 2053 ' ' PRO . 6.7 pt-20 -74.08 -13.47 60.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 73.42 110.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.584 ' C ' ' HD2' ' A' 2053 ' ' PRO . 9.3 t -83.12 -46.98 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 72.22 109.213 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.593 ' N ' ' CD2' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.76 -42.73 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 74.45 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.662 ' HE2' ' HB3' ' A' 2048 ' ' PHE . 0.0 OUTLIER -36.06 -53.86 1.5 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 74.23 110.273 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.584 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.96 -51.81 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.436 1.756 . . . . 70.45 111.031 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' 2026 ' ' MET . 20.3 mt -47.76 -54.6 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 75.4 109.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2055 ' ' HIS . . . . . . . . . . . . . 41.8 m170 -62.01 -46.94 87.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 75.23 109.563 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -54.96 -48.67 72.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.34 109.329 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.489 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -52.3 -38.38 58.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 61.33 110.994 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.64 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -65.12 -45.86 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 73.51 111.005 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.82 -62.4 1.83 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 62.31 110.264 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.2 OUTLIER -64.39 -33.85 76.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.372 1.045 . . . . 72.31 110.289 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -124.73 89.34 0.39 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.409 1.068 . . . . 61.55 111.029 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.448 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -74.98 -94.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 74.24 110.94 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.465 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 0.0 OUTLIER 177.32 -82.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 73.14 110.313 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.28 -169.06 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 64.3 110.406 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -27.18 64.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 71.33 109.296 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 17.2 tttt -77.83 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 72.13 109.305 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 3.1 tp10 -54.08 -19.94 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 72.15 110.252 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' 2072 ' ' GLN . 0.8 OUTLIER -54.52 -26.63 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 71.11 110.382 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -40.06 64.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 71.12 110.041 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 38.5 t80 -63.51 -50.75 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.14 110.974 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.555 ' O ' ' CA ' ' A' 2075 ' ' GLY . 42.1 t-20 -64.6 -28.79 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.51 109.312 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2072 ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' 2068 ' ' THR . 28.3 mt-30 -78.35 -51.13 10.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 73.04 110.273 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.5 -51.8 4.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.02 109.259 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.643 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 24.8 m-85 -96.03 -12.56 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 74.34 111.023 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.555 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.3 -49.06 3.72 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.482 1.114 . . . . 63.11 110.967 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -46.33 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 73.14 110.204 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -50.28 -59.38 4.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 71.45 109.346 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.598 HD13 ' CH2' ' A' 2027 ' ' TRP . 66.0 mt -54.2 -36.41 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 74.3 109.276 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.36 95.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 74.24 110.977 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.1 tt0 -63.5 -56.22 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 71.11 110.297 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.575 ' HB1' ' CE1' ' A' 2104 ' ' TYR . . . -52.72 -43.58 65.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 73.01 109.249 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.41 -42.31 86.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 75.02 110.334 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.39 79.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 63.24 110.208 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.406 ' HB2' ' CB ' ' A' 2100 ' ' ALA . 98.5 m95 -69.01 -32.61 72.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.24 108.041 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' 2081 ' ' ALA . 55.8 m -60.13 -57.72 11.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 65.11 108.328 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -57.98 -37.58 74.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 72.13 110.337 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -62.76 -33.89 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.4 109.275 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.757 ' HB2' ' HD2' ' A' 2096 ' ' ASP . 3.0 t80 -78.26 -47.07 18.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 73.4 110.911 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.7 mtt -58.21 -31.29 67.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 75.13 110.95 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.09 -56.12 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 75.42 109.347 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.7 t -71.53 -64.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 75.01 109.968 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.67 90.26 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 52.42 110.962 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.41 124.5 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.53 109.316 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.7 p -63.9 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.31 109.289 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.25 -52.0 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 74.22 109.358 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.757 ' HD2' ' HB2' ' A' 2088 ' ' TYR . 0.0 OUTLIER -67.36 -36.03 80.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 75.31 109.293 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.469 HD12 ' CG1' ' A' 2044 ' ' VAL . 2.1 tt -62.06 -45.73 92.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 72.22 109.35 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -60.51 -47.1 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.05 110.41 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -50.22 66.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 72.22 110.326 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2100 ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' 2084 ' ' TRP . . . -56.61 -46.32 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 71.15 109.262 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.709 ' CH2' ' CD2' ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.62 -35.19 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 73.25 108.101 179.921 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -49.13 77.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 61.25 109.246 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.6 mp -58.62 -53.27 60.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 73.32 109.362 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.575 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 9.8 m-85 -54.83 -57.92 9.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 72.12 111.014 179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' 2109 ' ' ARG . 0.6 OUTLIER -49.27 -35.51 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 75.31 110.926 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2106 ' ' HIS . . . . . 0.499 ' O ' ' HG3' ' A' 2109 ' ' ARG . 0.2 OUTLIER -63.02 -48.07 80.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.204 . . . . 73.02 109.569 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.643 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.7 m -76.73 -36.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.517 1.135 . . . . 73.1 109.28 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.75 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 6.6 m-85 -70.03 -32.3 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 1.057 . . . . 72.11 110.92 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -82.45 -25.7 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 74.1 110.304 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2110 ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -72.95 -52.24 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 74.24 110.291 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.492 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 4.3 pt -42.47 -28.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 70.3 109.336 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2112 ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' 2110 ' ' ARG . 10.5 m -87.57 -53.97 4.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 61.21 109.968 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.28 161.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 75.13 109.312 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.38 1.05 . . . . 74.41 110.385 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.426 0.155 . . . . 74.32 110.916 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2015 ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' 2016 ' ' LEU . 2.3 mm-40 -91.87 -33.91 14.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 73.23 110.287 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.42 ' CB ' ' O ' ' A' 2015 ' ' GLU . 0.1 OUTLIER 169.85 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 74.32 109.351 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -46.13 -52.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 61.33 109.234 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' 2019 ' ' VAL . 0.2 OUTLIER -163.83 -176.71 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.11 110.324 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.504 ' CG2' ' HB2' ' A' 2022 ' ' LEU . 0.6 OUTLIER -111.87 126.65 28.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 62.31 109.342 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.445 ' O ' ' CG ' ' A' 2025 ' ' GLU . 18.0 Cg_endo -75.11 -22.35 14.72 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.5 1.79 . . . . 72.53 110.919 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.62 78.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 74.42 109.401 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.504 ' HB2' ' CG2' ' A' 2019 ' ' VAL . 0.1 OUTLIER -168.97 -168.47 0.86 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.556 1.16 . . . . 73.25 109.306 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.622 ' CE3' ' SD ' ' A' 2058 ' ' MET . 7.4 m0 -61.18 -49.24 77.99 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.978 -1.119 . . . . 74.34 107.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.8 m170 -46.28 -24.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 73.55 109.577 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' 2020 ' ' PRO . 25.9 tp10 -68.74 -39.24 80.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.41 110.252 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.0 OUTLIER -73.64 -31.31 63.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.329 1.018 . . . . 75.31 110.997 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.669 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 56.9 m95 -67.68 -48.52 66.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 74.22 107.971 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -66.61 -43.86 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 72.44 109.518 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.8 tt0 -64.86 -46.85 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 63.11 110.289 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.513 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -53.11 -58.51 11.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 64.14 111.004 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.739 ' CD1' ' CD2' ' A' 2108 ' ' PHE . 3.6 mt -61.57 -32.28 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 0.732 . . . . 75.52 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -53.2 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 62.23 110.277 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -79.28 -50.34 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.21 110.219 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.539 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.16 -49.39 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 73.32 109.239 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' 2031 ' ' LEU . 14.5 p -70.4 -36.81 74.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 63.14 110.092 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -54.54 -52.66 61.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 72.34 110.34 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.548 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.6 pp -71.97 -41.13 68.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 72.51 109.268 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' 2047 ' ' MET . 34.3 t80 -59.34 -56.2 25.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.31 111.042 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2039 ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' 2035 ' ' SER . 11.9 m-85 -68.8 -46.41 68.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.383 1.052 . . . . 74.44 110.926 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.633 ' O ' ' CB ' ' A' 2041 ' ' GLU . . . -66.79 -65.63 2.72 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.11 . . . . 64.24 110.947 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.633 ' CB ' ' O ' ' A' 2040 ' ' GLY . 15.8 tt0 149.25 133.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 75.31 110.382 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER 173.36 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 74.51 110.241 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.8 m-20 152.61 164.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 74.51 109.261 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.551 ' O ' ' CD2' ' A' 2048 ' ' PHE . 4.5 m -83.63 -11.23 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 73.42 109.314 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -36.79 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 74.02 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' 2050 ' ' VAL . . . -59.77 -56.15 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.546 1.154 . . . . 74.31 110.962 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' 2038 ' ' TYR . 0.5 OUTLIER -63.08 -38.8 92.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 0.732 . . . . 75.1 111.064 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.612 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.5 m-85 -69.94 -40.74 75.32 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.463 1.102 . . . . 73.42 111.042 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.586 ' O ' ' CD ' ' A' 2053 ' ' PRO . 16.8 pt-20 -74.89 -13.26 60.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 74.41 110.306 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.556 ' C ' ' HD2' ' A' 2053 ' ' PRO . 24.3 t -83.46 -45.68 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 71.4 109.254 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.625 ' CD1' ' N ' ' A' 2051 ' ' LEU . 0.0 OUTLIER -77.11 -44.61 29.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.31 109.316 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 3.1 mt-10 -35.33 -55.61 1.06 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 73.35 110.3 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.586 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -75.04 -49.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 64.4 111.031 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.513 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 15.9 mt -48.85 -56.66 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 72.11 109.285 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 41.3 m170 -60.15 -51.86 67.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 74.25 109.594 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.96 -48.56 60.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 64.12 109.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.37 -39.38 57.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 72.22 110.932 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.622 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.5 mmt -66.89 -34.11 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 62.3 111.055 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' 2055 ' ' HIS . 1.5 mm-40 -74.4 -63.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 72.33 110.288 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 48.5 ptt85 -70.27 -18.21 63.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 74.21 110.289 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.43 77.29 0.29 Allowed Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.434 1.084 . . . . 65.02 111.091 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.05 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.768 . . . . 72.51 110.968 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.502 ' OE1' ' CE2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -149.77 -77.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 63.51 110.372 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' 2067 ' ' GLU . 3.2 p -156.16 -166.0 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 75.25 110.396 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -26.95 68.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 75.42 109.186 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -60.55 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 75.31 109.285 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' 2063 ' ' GLN . 0.5 OUTLIER -57.49 -30.68 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 74.42 110.198 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' 2072 ' ' GLN . 1.0 OUTLIER -54.34 -38.5 66.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.199 . . . . 71.42 110.427 -179.894 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -31.8 62.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 75.32 110.047 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.13 -52.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 74.2 111.005 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.548 ' O ' ' CA ' ' A' 2075 ' ' GLY . 11.0 t30 -64.34 -29.69 70.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 75.31 109.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2072 ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' 2068 ' ' THR . 17.7 mm-40 -79.66 -51.17 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 71.35 110.28 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.24 -50.58 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.182 . . . . 72.44 109.312 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.63 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.3 m-85 -97.84 -14.66 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 74.51 110.963 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.548 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -43.13 -28.72 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.601 1.188 . . . . 74.34 110.953 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2076 ' ' ARG . . . . . 0.432 ' CG ' ' N ' ' A' 2077 ' ' ASP . 3.7 ptm85 -78.8 -45.48 20.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 0.804 . . . . 73.42 110.204 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.432 ' N ' ' CG ' ' A' 2076 ' ' ARG . 13.4 m-20 -64.03 -56.39 15.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.388 1.055 . . . . 62.13 109.367 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.488 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 10.3 mp -51.12 -44.82 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 74.52 109.32 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 34.9 mmm -53.45 -50.53 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 75.31 110.989 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2080 ' ' GLU . . . . . 0.508 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 24.7 tt0 -71.1 -46.95 60.78 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.451 1.094 . . . . 72.13 110.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -53.7 -44.2 69.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 75.15 109.334 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -38.41 91.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 73.54 110.251 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2083 ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -60.66 -36.9 79.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 74.33 110.38 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 98.7 m95 -76.0 -25.32 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 71.02 107.999 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.612 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.4 t -71.11 -59.11 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 71.31 108.405 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2086 ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 4.9 ptt180 -65.4 -28.81 69.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 73.43 110.313 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -69.03 -38.23 79.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 75.2 109.306 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.594 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.1 OUTLIER -75.29 -38.07 60.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.583 1.177 . . . . 75.44 111.064 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.558 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 3.3 mtt -66.72 -34.22 77.36 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.583 1.177 . . . . 65.31 110.999 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -36.41 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 72.31 109.294 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.9 t -90.5 -71.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 71.33 109.961 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 108.98 99.15 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 42.52 110.938 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -168.67 115.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 75.44 109.26 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -54.72 -39.96 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 73.33 109.35 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -52.41 -48.06 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 65.41 109.262 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.418 ' OD2' ' CE ' ' A' 2087 ' ' LYS . 10.4 m-20 -67.69 -34.17 76.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 73.51 109.257 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.594 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 37.7 tp -64.71 -50.01 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 73.4 109.314 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.9 m -59.8 -47.35 86.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 75.44 110.362 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -51.95 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 74.43 110.31 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -53.69 -50.39 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 73.52 109.291 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -33.78 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 75.1 107.967 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -50.28 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 74.32 109.304 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.8 mp -55.8 -53.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.15 109.273 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' 2107 ' ' VAL . 15.1 m-85 -57.95 -55.94 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 74.12 111.046 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.548 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.14 -30.61 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.23 110.972 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -69.22 -54.8 12.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 73.5 109.691 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.63 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.3 m -64.97 -47.46 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.01 109.291 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.739 ' CD2' ' CD1' ' A' 2031 ' ' LEU . 18.7 m-85 -62.95 -29.37 70.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 73.12 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' 2105 ' ' TYR . 32.0 ttm180 -74.82 -31.74 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.31 110.303 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -71.75 -51.47 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 74.42 110.35 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.522 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 18.8 pt -45.26 -31.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 75.53 109.331 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -46.08 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 70.42 109.937 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.12 136.42 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 75.53 109.381 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 73.2 110.266 179.963 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.575 0.226 . . . . 63.14 111.027 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -17.28 13.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 75.42 110.294 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.19 143.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 61.02 109.314 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 4.6 tt -58.96 176.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 75.32 109.259 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -147.28 127.73 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 75.1 110.313 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.501 HG21 ' CD1' ' A' 2022 ' ' LEU . 2.3 p -40.22 139.19 1.06 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 72.32 109.253 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' 2025 ' ' GLU . 18.3 Cg_endo -75.0 -39.87 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.424 1.75 . . . . 74.03 111.024 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 1.7 pp -112.63 95.1 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.545 1.153 . . . . 74.11 109.262 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.501 ' CD1' HG21 ' A' 2019 ' ' VAL . 0.2 OUTLIER -169.96 -178.56 2.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 73.33 109.315 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.614 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.1 m0 -76.39 -50.15 14.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.019 -1.104 . . . . 74.52 108.019 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.3 m170 -47.89 -22.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 72.11 109.643 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' 2020 ' ' PRO . 53.1 tp10 -73.15 -36.22 66.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 73.13 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.551 ' HE2' ' CE2' ' A' 2027 ' ' TRP . 0.0 OUTLIER -71.97 -32.7 67.5 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.512 1.133 . . . . 73.4 110.99 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.594 ' CZ3' HG11 ' A' 2107 ' ' VAL . 82.5 m95 -71.95 -51.86 19.99 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.545 1.153 . . . . 74.41 108.046 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.436 ' O ' ' HB3' ' A' 2032 ' ' GLU . 1.2 t60 -52.56 -60.08 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 75.21 109.648 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.459 ' HA ' ' HB3' ' A' 2032 ' ' GLU . 10.3 pt-20 -67.93 -31.17 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 75.21 110.275 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.432 ' CA ' HD23 ' A' 2054 ' ' LEU . . . -58.5 -66.55 2.73 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 51.24 111.029 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.74 ' HG ' ' CE2' ' A' 2108 ' ' PHE . 6.3 mt -61.22 -30.14 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 72.43 109.317 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.64 -49.53 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.185 . . . . 51.33 110.357 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.488 ' N ' ' HG2' ' A' 2032 ' ' GLU . 3.2 tt0 -72.34 -49.98 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 75.02 110.351 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.84 -48.17 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 62.22 109.18 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 8.6 t -57.31 -48.19 79.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 64.35 110.059 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -53.1 -37.96 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 74.44 110.33 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2037 ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.86 -36.67 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 75.13 109.281 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.421 ' O ' ' O ' ' A' 2041 ' ' GLU . 49.9 t80 -74.91 -55.24 5.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 75.33 110.99 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2039 ' ' PHE . . . . . 0.409 ' CE1' ' HD2' ' A' 2038 ' ' TYR . 24.8 m-85 -73.42 -46.76 46.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 74.21 111.09 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -65.89 -55.65 18.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 74.31 111.023 179.911 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' 2038 ' ' TYR . 0.7 OUTLIER -115.62 -154.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.776 . . . . 62.51 110.312 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' 2042 ' ' ARG . 0.0 OUTLIER -132.96 6.37 3.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.433 1.083 . . . . 72.51 110.282 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -73.38 85.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 73.14 109.396 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.635 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 12.5 t -61.78 -12.69 7.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.407 1.067 . . . . 74.44 109.293 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.19 -40.94 67.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 63.54 109.324 -179.933 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . -54.72 -57.39 17.99 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.541 1.151 . . . . 55.35 110.985 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.2 OUTLIER -56.83 -49.35 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 73.41 111.024 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.635 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.0 m-85 -61.64 -34.94 76.56 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 74.51 111.065 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.515 ' O ' ' CD ' ' A' 2053 ' ' PRO . 4.6 mm-40 -76.89 -14.53 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 72.31 110.282 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.611 ' C ' ' HD2' ' A' 2053 ' ' PRO . 2.9 t -85.54 -42.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 72.1 109.358 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.598 ' HB3' ' CE1' ' A' 2055 ' ' HIS . 0.2 OUTLIER -78.03 -43.86 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 72.2 109.293 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.482 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -37.12 -52.96 2.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 74.05 110.387 179.913 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.611 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.97 -51.1 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.323 1.696 . . . . 74.32 110.939 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.04 -55.83 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 64.24 109.367 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 41.3 m170 -62.07 -48.44 80.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.12 109.597 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.84 -50.73 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 74.24 109.27 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.472 ' HE1' ' CE ' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.41 -37.62 49.36 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.43 1.081 . . . . 64.14 111.055 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.614 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.7 OUTLIER -66.56 -40.65 89.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 75.1 111.022 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.2 mm-40 -65.94 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 62.21 110.421 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -65.65 -39.19 91.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 73.02 110.31 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.58 81.75 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 55.02 111.068 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.489 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.1 Cg_endo -74.98 -94.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 75.21 110.984 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.37 -82.87 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.368 1.042 . . . . 72.53 110.241 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2064 ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' 2068 ' ' THR . 7.5 t -155.27 167.14 31.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.5 110.459 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -27.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 63.43 109.281 -179.885 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 10.3 tttt -74.13 -41.52 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 75.04 109.352 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' 2064 ' ' THR . 3.0 tp10 -81.96 -19.59 40.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 64.43 110.229 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2068 ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' 2064 ' ' THR . 6.1 m -56.71 -27.36 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 63.34 110.384 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.0 t -68.71 -52.16 33.79 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 75.33 109.954 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' 2070 ' ' PHE . 5.9 t80 -63.94 -53.81 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 74.14 111.017 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' 2075 ' ' GLY . 13.2 t-20 -50.31 -35.18 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 65.53 109.339 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2072 ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' 2068 ' ' THR . 4.5 mt-30 -79.29 -55.2 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.01 110.326 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.29 -41.81 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 72.03 109.288 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.486 ' O ' ' N ' ' A' 2077 ' ' ASP . 5.2 m-85 -93.98 -32.86 13.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 73.12 111.056 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -45.46 -25.87 1.44 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 75.34 110.959 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -80.97 -35.42 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 64.54 110.333 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.9 m-20 -67.03 -60.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 73.13 109.257 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.588 ' HG ' ' CD2' ' A' 2055 ' ' HIS . 0.1 OUTLIER -52.27 -45.54 65.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 73.44 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2079 ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.5 mtp -51.66 -50.53 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.553 1.158 . . . . 75.54 111.013 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.91 -56.73 14.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 74.11 110.358 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' 2104 ' ' TYR . . . -54.31 -40.71 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.33 109.271 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 73.33 110.266 -179.855 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.58 76.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 72.1 110.298 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2084 ' ' TRP . . . . . 0.52 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 78.4 m95 -66.81 -35.08 79.23 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.521 1.138 . . . . 65.31 108.017 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.617 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 22.4 t -65.16 -52.23 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 71.53 108.304 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -40.19 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 75.34 110.352 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.52 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.1 OUTLIER -67.33 -32.28 73.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 75.11 109.297 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.556 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 4.3 t80 -78.95 -47.9 15.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.388 1.055 . . . . 74.22 111.051 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 6.1 mmm -58.01 -34.87 70.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 75.4 110.999 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -56.13 3.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 71.21 109.269 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.3 t -72.52 -67.09 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 73.24 110.012 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 99.58 88.13 1.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.586 1.179 . . . . 74.32 111.053 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.41 125.35 11.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.574 0.808 . . . . 73.21 109.234 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 p -60.41 -42.83 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 72.54 109.339 179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.64 -47.13 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 72.22 109.217 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2096 ' ' ASP . . . . . 0.447 ' HD2' ' N ' ' A' 2088 ' ' TYR . 1.7 t0 -66.62 -40.97 89.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 70.3 109.381 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 1.7 tp -62.17 -45.61 92.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 73.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.7 m -58.25 -48.35 80.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 61.04 110.38 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -46.1 77.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.623 1.202 . . . . 74.01 110.334 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -56.83 -42.86 80.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 74.54 109.28 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.709 ' CH2' ' CD2' ' A' 2031 ' ' LEU . 0.0 OUTLIER -66.89 -29.48 69.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 73.11 108.026 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -50.74 70.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 73.53 109.189 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 2.3 mt -59.38 -52.65 64.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 74.12 109.331 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2104 ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' 2081 ' ' ALA . 16.6 m-85 -56.74 -51.67 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.22 110.939 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -47.35 -45.62 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.02 111.007 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.17 99.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 65.53 109.642 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.594 HG11 ' CZ3' ' A' 2027 ' ' TRP . 2.2 t -62.62 -58.26 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.067 . . . . 74.11 109.28 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.74 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 52.3 m-85 -63.97 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 75.41 111.005 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -77.06 -43.56 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 72.45 110.3 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -52.18 66.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 71.3 110.308 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.563 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 23.6 pt -44.02 -31.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 73.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 35.6 m -83.47 -50.06 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 64.52 110.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 120.94 4.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.41 109.269 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 73.52 110.283 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 2.2 mtm . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.563 0.22 . . . . 75.1 111.0 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.28 -3.19 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 73.1 110.384 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2016 ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' 2017 ' ' ILE . 1.6 mp -88.84 165.37 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.631 1.207 . . . . 74.54 109.308 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2017 ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' A' 2066 ' ' LYS . 3.8 mp 62.01 138.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 72.04 109.313 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2018 ' ' ARG . . . . . 0.4 ' N ' HG21 ' A' 2017 ' ' ILE . 0.1 OUTLIER -149.59 169.97 19.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 75.42 110.259 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2019 ' ' VAL . . . . . 0.563 ' N ' ' HE2' ' A' 2067 ' ' GLU . 0.1 OUTLIER -52.05 139.28 34.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.2 109.241 -179.954 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2020 ' ' PRO . . . . . 0.427 ' HD2' HG21 ' A' 2019 ' ' VAL . 18.3 Cg_endo -74.98 -41.9 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.769 . . . . 74.42 111.016 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2021 ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' 2022 ' ' LEU . 23.6 mm -94.05 -82.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.596 1.185 . . . . 72.12 109.35 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2022 ' ' LEU . . . . . 0.457 ' N ' HG23 ' A' 2019 ' ' VAL . 0.5 OUTLIER 176.87 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.642 1.214 . . . . 74.52 109.251 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2023 ' ' TRP . . . . . 0.631 ' CD2' ' HE2' ' A' 2058 ' ' MET . 18.9 m0 -79.74 -46.47 16.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 72.2 108.016 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2024 ' ' HIS . . . . . 0.454 ' CD2' ' H ' ' A' 2024 ' ' HIS . 2.6 m170 -48.51 -23.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.31 109.554 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2025 ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' 2023 ' ' TRP . 5.6 tp10 -65.62 -33.23 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 64.03 110.242 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2026 ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' 2030 ' ' GLY . 0.4 OUTLIER -78.83 -35.91 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 70.31 110.855 -179.833 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2027 ' ' TRP . . . . . 0.567 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 64.0 m95 -67.64 -39.79 84.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 75.12 107.944 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2028 ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.2 OUTLIER -72.54 -59.33 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.088 . . . . 75.02 109.594 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2029 ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -62.76 -36.4 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 75.34 110.338 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2030 ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.14 -64.66 3.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 72.14 111.019 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2031 ' ' LEU . . . . . 0.605 ' CD2' ' CD2' ' A' 2108 ' ' PHE . 2.4 tp -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 75.22 109.344 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2032 ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' 2028 ' ' HIS . 9.8 mt-10 -55.58 -52.32 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 74.32 110.213 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2033 ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' 2036 ' ' ARG . 0.0 OUTLIER -73.27 -52.11 15.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 75.43 110.259 -179.88 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2034 ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.97 -50.74 65.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 24.31 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2035 ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.2 p -67.35 -32.18 72.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 62.21 110.045 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2036 ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' 2032 ' ' GLU . 0.5 OUTLIER -60.59 -52.62 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 75.02 110.316 -179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2037 ' ' LEU . . . . . 0.573 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.3 pp -72.26 -40.72 67.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 71.04 109.341 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2038 ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' 2101 ' ' TRP . 38.9 t80 -57.34 -55.39 35.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 72.33 111.088 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2039 ' ' PHE . . . . . 0.443 ' HB2' ' O ' ' A' 2035 ' ' SER . 12.7 m-85 -71.51 -43.52 66.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.133 . . . . 74.31 110.905 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2040 ' ' GLY . . . . . 0.606 ' O ' ' CB ' ' A' 2041 ' ' GLU . . . -68.27 -69.55 1.35 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 74.53 110.983 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2041 ' ' GLU . . . . . 0.606 ' CB ' ' O ' ' A' 2040 ' ' GLY . 13.4 tt0 150.97 133.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 72.11 110.333 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2042 ' ' ARG . . . . . 0.538 ' O ' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER 173.58 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 74.13 110.225 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2043 ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.0 m-20 153.73 170.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.559 1.162 . . . . 70.14 109.191 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2044 ' ' VAL . . . . . 0.534 ' CG1' ' CE1' ' A' 2048 ' ' PHE . 3.1 t -83.1 -28.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 73.44 109.332 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2045 ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -55.5 -34.27 64.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 73.4 109.315 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.585 ' O ' ' HG3' ' A' 2049 ' ' GLU . . . -50.32 -52.32 28.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.579 1.174 . . . . 74.13 111.072 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2047 ' ' MET . . . . . 0.559 ' O ' ' HG ' ' A' 2051 ' ' LEU . 26.2 ttp -67.75 -54.99 14.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 54.23 111.043 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2048 ' ' PHE . . . . . 0.551 ' CD1' ' HE3' ' A' 2047 ' ' MET . 22.4 m-85 -52.66 -49.52 65.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 74.33 111.01 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2049 ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -67.02 -17.61 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.14 110.38 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2050 ' ' VAL . . . . . 0.585 ' C ' ' HD2' ' A' 2053 ' ' PRO . 2.9 t -84.79 -44.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 72.21 109.321 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' 2047 ' ' MET . 0.2 OUTLIER -78.19 -42.1 32.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 73.42 109.26 -179.903 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2052 ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.9 OUTLIER -37.24 -54.24 2.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 71.23 110.328 179.917 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2053 ' ' PRO . . . . . 0.585 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.398 1.736 . . . . 75.52 110.996 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.514 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 36.8 mt -49.0 -56.42 9.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 74.33 109.341 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2055 ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' 2051 ' ' LEU . 34.3 m170 -59.74 -50.68 72.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 75.02 109.638 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2056 ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.43 -50.66 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 74.44 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2057 ' ' MET . . . . . 0.478 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.42 -39.19 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 75.34 110.938 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2058 ' ' MET . . . . . 0.631 ' HE2' ' CD2' ' A' 2023 ' ' TRP . 0.1 OUTLIER -66.93 -35.32 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.14 111.044 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2059 ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.2 mm-40 -74.16 -63.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.11 110.308 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2060 ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.4 ptt85 -72.38 -8.84 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 65.12 110.213 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2061 ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -129.62 62.75 0.64 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.167 . . . . 70.52 110.954 -179.889 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2062 ' ' PRO . . . . . 0.438 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.96 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 74.13 111.012 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2063 ' ' GLN . . . . . 0.481 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -132.96 -68.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 74.52 110.262 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.38 164.65 4.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 74.4 110.319 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.55 -27.98 5.05 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 73.44 109.332 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2066 ' ' LYS . . . . . 0.435 ' HB3' ' CG2' ' A' 2017 ' ' ILE . 0.1 OUTLIER -70.96 -42.81 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.628 1.205 . . . . 74.42 109.278 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2067 ' ' GLU . . . . . 0.563 ' HE2' ' N ' ' A' 2019 ' ' VAL . 18.9 tp10 -75.65 -22.12 57.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 64.43 110.373 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 20.2 m -54.47 -27.11 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 75.42 110.372 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.4 m -53.98 -43.71 70.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 72.35 109.983 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2070 ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' 2071 ' ' ASN . 0.7 OUTLIER -69.81 -53.83 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.44 111.038 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2071 ' ' ASN . . . . . 0.515 ' N ' ' CD1' ' A' 2070 ' ' PHE . 60.8 t-20 -48.63 -36.22 15.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 65.52 109.263 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -78.74 -45.35 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 72.01 110.273 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -44.37 -34.75 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 74.23 109.271 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2074 ' ' TYR . . . . . 0.592 ' CD1' HG11 ' A' 2107 ' ' VAL . 71.0 m-85 -108.55 -27.45 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 73.21 110.961 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -41.71 -26.53 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.575 1.172 . . . . 64.22 110.987 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2076 ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.3 OUTLIER -80.57 -46.6 15.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 75.11 110.314 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2077 ' ' ASP . . . . . 0.451 ' HB2' ' CG2' ' A' 2107 ' ' VAL . 9.3 m-20 -66.13 -50.68 63.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 74.23 109.379 179.893 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2078 ' ' LEU . . . . . 0.517 ' CD1' ' HB3' ' A' 2074 ' ' TYR . 11.1 mp -54.54 -40.76 68.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 75.1 109.238 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -49.48 77.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 72.34 111.06 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.22 -48.99 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.31 110.359 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2081 ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' 2103 ' ' LEU . . . -58.14 -43.92 87.54 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.55 1.156 . . . . 63.33 109.196 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2082 ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -64.53 -32.2 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 74.14 110.355 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -35.29 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.317 1.011 . . . . 74.23 110.277 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.876 -1.157 . . . . 72.5 107.876 -179.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2085 ' ' CYS . . . . . 0.424 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 0.9 OUTLIER -68.61 -51.59 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.344 1.027 . . . . 74.33 108.272 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -46.89 87.17 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.52 1.137 . . . . 72.34 110.306 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2087 ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -57.71 -39.11 76.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 63.42 109.22 -179.917 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2088 ' ' TYR . . . . . 0.55 ' CZ ' ' CD1' ' A' 2097 ' ' LEU . 1.5 t80 -71.15 -40.22 71.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.24 110.995 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2089 ' ' MET . . . . . 0.422 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -59.72 -39.05 83.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 63.15 110.989 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.93 -53.8 4.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.4 109.241 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2091 ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.4 t -65.33 -67.21 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 72.24 109.98 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2092 ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 98.16 90.96 1.95 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.449 1.093 . . . . 75.42 110.918 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.53 108.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 0.836 . . . . 72.14 109.312 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 5.9 t -45.94 -41.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 72.13 109.277 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -49.67 -42.21 44.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.631 1.207 . . . . 73.44 109.253 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -69.92 -40.68 75.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 52.15 109.309 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.55 ' CD1' ' CZ ' ' A' 2088 ' ' TYR . 0.3 OUTLIER -63.37 -43.62 97.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 73.15 109.267 -179.905 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -46.05 92.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 73.42 110.397 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.68 -43.75 97.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 75.41 110.323 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 61.2 109.359 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2101 ' ' TRP . . . . . 0.56 ' CD1' ' CZ ' ' A' 2038 ' ' TYR . 0.4 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 75.34 107.986 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -49.72 61.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 63.41 109.31 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2103 ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' 2081 ' ' ALA . 25.0 mt -54.0 -51.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.43 109.29 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.72 -45.66 89.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 73.24 110.893 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2105 ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -50.45 -47.93 56.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 72.03 111.002 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -45.21 95.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 72.32 109.601 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2107 ' ' VAL . . . . . 0.592 HG11 ' CD1' ' A' 2074 ' ' TYR . 2.4 t -57.21 -55.78 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 70.43 109.256 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2108 ' ' PHE . . . . . 0.605 ' CD2' ' CD2' ' A' 2031 ' ' LEU . 8.2 m-85 -65.75 -27.39 68.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.371 1.044 . . . . 75.55 110.971 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2109 ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 0.1 OUTLIER -74.03 -24.54 59.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 74.4 110.3 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.37 -50.25 12.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.598 1.186 . . . . 75.02 110.322 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2111 ' ' ILE . . . . . 0.567 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 0.6 OUTLIER -60.09 -26.75 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 73.3 109.3 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 18.0 t -82.2 -51.72 7.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.634 1.209 . . . . 72.31 110.047 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.01 136.61 2.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 74.14 109.376 179.825 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.408 1.067 . . . . 72.34 110.286 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.62 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.4 m0 -71.62 -52.86 15.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.035 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2024 ' ' HIS . . . . . 0.719 ' CD2' ' CZ ' ' A' 2070 ' ' PHE . 3.8 m170 -47.71 -23.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' 2029 ' ' GLU . 1.3 tt0 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.577 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -76.64 -30.87 57.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.703 ' CH2' HD11 ' A' 2078 ' ' LEU . 61.5 m95 -70.35 -51.06 32.69 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 108.089 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -59.35 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.2 OUTLIER -63.62 -36.0 82.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -60.38 -63.9 4.61 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2031 ' ' LEU . . . . . 0.999 HD22 ' CG ' ' A' 2108 ' ' PHE . 7.1 tp -61.17 -34.99 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 0.807 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -45.83 70.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -72.26 -50.31 28.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' A' 2047 ' ' MET . . . -52.13 -49.56 63.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' 2038 ' ' TYR . 0.2 OUTLIER -64.52 -51.69 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -48.71 59.4 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.974 HD12 ' N ' ' A' 2038 ' ' TYR . 2.4 pp -71.43 -42.01 68.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.974 ' N ' HD12 ' A' 2037 ' ' LEU . 17.0 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.992 HG11 HD21 ' A' 2097 ' ' LEU . 3.1 m -74.39 -15.41 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -51.1 40.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.673 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.32 -48.81 62.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.486 ' SD ' ' NE1' ' A' 2101 ' ' TRP . 34.8 ttp -52.83 -48.88 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.962 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.502 ' CG ' ' HE3' ' A' 2089 ' ' MET . 23.0 m-85 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.562 ' O ' ' CD ' ' A' 2053 ' ' PRO . 38.8 mt-10 -75.91 -14.47 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' 2046 ' ' GLY . 27.1 t -84.46 -45.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.27 34.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.494 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.2 OUTLIER -35.51 -56.66 1.01 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.562 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.1 Cg_endo -74.97 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.82 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.577 HD22 ' SD ' ' A' 2026 ' ' MET . 18.5 mt -49.01 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' 2051 ' ' LEU . 55.9 m170 -58.78 -52.41 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.609 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.11 -50.26 59.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.535 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.09 -38.64 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.62 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 5.4 mmt -70.73 -29.94 66.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' 2055 ' ' HIS . 3.2 mt-10 -77.65 -63.53 1.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.1 ptt180 -73.12 -21.59 60.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.41 84.9 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.525 1.803 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -143.63 -78.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.247 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.9 t -164.4 174.08 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -30.97 66.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -33.61 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.52 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 4.0 mm-40 -86.94 -20.64 27.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 10.5 m -54.41 -38.46 66.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 58.1 m -66.09 -33.85 76.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.9 ' CZ ' HG22 ' A' 2111 ' ' ILE . 1.7 t80 -65.73 -54.13 31.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' 2075 ' ' GLY . 28.8 t-20 -61.81 -29.48 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -78.63 -42.47 28.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.66 -45.08 57.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.605 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 34.1 m-85 -99.01 -16.66 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.07 -44.21 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.657 1.223 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -40.2 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -58.94 -60.27 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.703 HD11 ' CH2' ' A' 2027 ' ' TRP . 5.4 mt -52.7 -40.71 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 37.6 ttm -54.65 -46.06 73.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.66 -58.99 4.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.78 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -54.86 -40.27 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2082 ' ' GLN . . . . . 0.4 ' O ' ' HD3' ' A' 2086 ' ' ARG . 3.7 tt0 -58.0 -41.32 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.44 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.574 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.2 m95 -66.87 -28.77 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.481 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.5 OUTLIER -71.41 -58.32 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' 2082 ' ' GLN . 12.7 mtp180 -55.34 -39.92 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.574 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -65.5 -38.14 88.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.576 ' CZ ' HD22 ' A' 2097 ' ' LEU . 0.9 OUTLIER -71.13 -46.9 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.502 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 0.8 OUTLIER -59.93 -35.77 75.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -84.99 -55.92 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' 2087 ' ' LYS . 11.1 t -69.33 -68.42 0.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.2 91.78 2.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.075 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.3 t30 -159.81 120.89 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -56.62 -41.0 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -49.49 -48.38 47.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.7 -37.82 85.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.992 HD21 HG11 ' A' 2044 ' ' VAL . 4.4 tp -64.14 -44.34 92.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 8.8 m -61.1 -43.81 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -42.68 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.87 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.486 ' NE1' ' SD ' ' A' 2047 ' ' MET . 2.2 m95 -69.32 -30.51 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.33 -50.78 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.78 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 13.1 mt -55.0 -50.4 69.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' 2107 ' ' VAL . 7.2 m-85 -54.36 -54.95 33.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.98 -37.97 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -62.31 -48.62 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -69.53 -49.64 57.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.999 ' CG ' HD22 ' A' 2031 ' ' LEU . 17.6 m-85 -62.07 -30.05 70.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 38.9 ttm180 -74.48 -37.19 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -63.9 -51.42 64.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.9 HG22 ' CZ ' ' A' 2070 ' ' PHE . 19.8 pt -48.75 -33.68 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 4.1 p -86.02 -50.41 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.268 -0.642 . . . . 71.34 109.268 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.511 ' CD2' ' OE1' ' A' 2067 ' ' GLU . 8.6 m0 -49.57 -51.64 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.022 -1.103 . . . . 72.45 108.022 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 4.6 m80 -47.31 -24.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 64.2 109.626 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.6 tm-20 -66.95 -34.8 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 70.1 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.694 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -77.15 -32.91 56.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 73.51 110.987 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.829 ' HH2' HD11 ' A' 2078 ' ' LEU . 67.6 m95 -64.83 -47.38 78.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.44 108.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -58.5 6.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 74.33 109.653 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -57.56 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 73.3 110.29 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' 2029 ' ' GLU . . . -58.44 -63.62 5.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 64.11 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2031 ' ' LEU . . . . . 0.929 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.5 mt -60.44 -29.81 69.25 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.592 0.819 . . . . 74.4 109.294 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -54.2 -51.26 64.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.382 1.051 . . . . 73.15 110.239 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -79.4 -47.88 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 72.22 110.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.95 -44.33 74.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 35.34 109.312 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.1 m -73.33 -45.94 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 73.03 109.957 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -51.75 -51.06 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 73.54 110.315 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.484 ' CD2' ' HA3' ' A' 2046 ' ' GLY . 2.8 pp -68.11 -39.08 82.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.51 109.335 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.725 ' HD1' HG12 ' A' 2044 ' ' VAL . 66.3 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.13 110.971 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.282 -0.636 . . . . 64.11 109.282 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.864 HG11 HD21 ' A' 2097 ' ' LEU . 21.4 m -68.46 -12.59 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 75.34 109.373 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.42 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 75.04 109.382 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.648 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.97 -54.34 38.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 62.43 110.987 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.534 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 6.1 tmm? -54.74 -40.73 69.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 73.23 111.089 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' 2052 ' ' GLU . 11.9 m-85 -67.12 -39.28 86.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 75.51 111.037 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.567 ' O ' ' CD ' ' A' 2053 ' ' PRO . 72.4 mt-10 -76.56 -13.69 60.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.611 1.194 . . . . 74.42 110.247 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' 2046 ' ' GLY . 25.1 t -84.15 -45.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 64.11 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.64 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.96 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 73.43 109.284 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.85 -56.28 0.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.138 . . . . 73.21 110.359 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.567 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.95 -51.09 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.466 1.772 . . . . 64.42 111.002 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.668 HD22 ' SD ' ' A' 2026 ' ' MET . 46.0 mt -49.14 -56.38 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 74.4 109.388 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.604 ' CD2' ' HB3' ' A' 2051 ' ' LEU . 5.6 m-70 -58.55 -52.96 63.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.388 1.055 . . . . 71.3 109.67 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.79 -46.8 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 70.34 109.283 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.476 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.73 -40.19 59.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 53.52 110.847 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.694 ' HE3' ' CE ' ' A' 2026 ' ' MET . 1.0 OUTLIER -70.09 -31.93 69.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.11 111.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.4 mm-40 -72.05 -63.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 65.3 110.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.06 -19.39 60.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 72.04 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.97 80.96 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 52.12 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.15 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 62.34 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.493 ' CG ' HG22 ' A' 2064 ' ' THR . 5.2 tp60 -142.86 -74.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 72.25 110.363 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.493 HG22 ' CG ' ' A' 2063 ' ' GLN . 0.0 OUTLIER -164.35 163.61 22.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.12 110.373 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.6 OUTLIER -51.16 -27.7 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.4 109.328 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.08 64.17 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.063 . . . . 65.51 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.511 ' OE1' ' CD2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -78.74 -19.82 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 72.3 110.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' 2064 ' ' THR . 2.2 m -54.16 -27.17 31.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 74.12 110.391 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -35.99 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 62.2 110.01 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.652 ' HE2' HG22 ' A' 2111 ' ' ILE . 60.2 t80 -65.51 -53.23 45.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.13 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.524 ' O ' ' CA ' ' A' 2075 ' ' GLY . 49.2 t30 -64.17 -28.99 70.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 61.52 109.337 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -78.7 -51.96 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 64.44 110.317 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.91 -49.37 5.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.14 . . . . 74.55 109.323 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.601 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.6 m-85 -96.24 -14.4 22.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 73.02 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.07 -40.03 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.546 1.154 . . . . 75.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -79.06 -53.08 7.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 0.795 . . . . 75.04 110.272 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -51.6 -55.16 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 75.32 109.234 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.829 HD11 ' HH2' ' A' 2027 ' ' TRP . 43.4 mt -52.36 -37.36 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 65.35 109.271 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -47.53 85.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.13 111.035 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.0 tt0 -62.41 -53.66 51.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 62.02 110.332 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.438 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.43 -39.29 64.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.373 1.046 . . . . 44.54 109.301 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 74.21 110.352 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -39.66 93.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 75.22 110.329 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.9 m95 -71.02 -31.61 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.15 108.055 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 94.6 m -61.61 -51.11 69.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.44 108.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.84 98.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 74.3 110.363 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' 2092 ' ' GLY . 4.2 mtpp -52.06 -50.45 61.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 73.44 109.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2088 ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.07 -44.49 69.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 52.43 111.003 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -49.4 77.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 73.41 111.047 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -59.51 4.8 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.438 1.086 . . . . 70.34 109.202 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.03 61.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 62.31 110.061 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2087 ' ' LYS . . . -102.23 -139.87 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 72.11 111.054 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.17 158.87 44.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 60.13 109.394 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -40.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 54.22 109.333 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.0 tttm -49.35 -44.61 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 73.23 109.246 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.4 -36.07 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 65.24 109.35 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.864 HD21 HG11 ' A' 2044 ' ' VAL . 1.5 tp -64.12 -48.62 75.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 74.54 109.25 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.5 m -61.05 -41.42 96.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 74.04 110.408 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -49.09 77.54 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.638 1.211 . . . . 72.11 110.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.46 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.44 109.371 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.69 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -58.55 -40.05 81.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 73.23 107.986 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -51.04 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 71.14 109.22 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' 2107 ' ' VAL . 5.2 mp -54.76 -54.05 47.12 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.146 . . . . 74.34 109.315 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.495 ' O ' HG22 ' A' 2107 ' ' VAL . 14.8 m-85 -55.18 -54.82 38.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 74.03 110.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.07 -36.99 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 75.5 111.118 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 73.14 109.582 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.601 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.0 OUTLIER -66.32 -44.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 72.22 109.275 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.929 ' CG ' HD11 ' A' 2031 ' ' LEU . 13.0 m-85 -65.71 -29.74 70.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 75.02 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.0 ttt180 -75.9 -30.81 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 75.43 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2110 ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' 2112 ' ' SER . 0.1 OUTLIER -72.56 -51.62 19.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 60.14 110.308 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.652 HG22 ' HE2' ' A' 2070 ' ' PHE . 14.9 pt -42.89 -27.96 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 74.44 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2112 ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' 2110 ' ' ARG . 0.6 OUTLIER -93.85 -51.41 4.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 71.03 109.982 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 4.8 tptt . . . . . 0 C--N 1.326 -0.413 0 O-C-N 124.494 1.121 . . . . 71.44 109.338 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.296 -0.631 . . . . 73.22 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.599 ' NE1' ' NE2' ' A' 2063 ' ' GLN . 10.6 m0 -66.64 -50.91 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.15 . . . . 73.44 107.942 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.29 -22.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 65.35 109.619 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' 2023 ' ' TRP . 3.2 tt0 -75.1 -35.13 61.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 75.22 110.207 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.99 -31.4 66.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 71.34 110.93 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.793 ' HH2' HD11 ' A' 2078 ' ' LEU . 70.6 m95 -74.43 -51.36 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.014 -1.106 . . . . 73.3 108.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -55.87 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 71.21 109.606 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 7.4 pt-20 -69.36 -37.18 77.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 74.24 110.306 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -57.28 -65.14 3.78 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.101 . . . . 64.24 110.993 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.152 HD22 ' CG ' ' A' 2108 ' ' PHE . 2.6 tp -60.47 -33.4 72.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 72.24 109.35 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 6.8 mm-40 -53.05 -47.4 68.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.32 110.274 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.2 -51.09 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 63.12 110.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.494 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -51.15 -45.57 61.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 54.13 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' 2038 ' ' TYR . 90.2 p -66.27 -48.65 69.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 75.23 110.001 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2036 ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' 2032 ' ' GLU . 3.2 tpt180 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 72.25 110.322 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.723 HD22 ' HA3' ' A' 2046 ' ' GLY . 4.6 pp -70.93 -40.61 71.97 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.566 1.166 . . . . 55.34 109.285 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.687 ' N ' HD12 ' A' 2037 ' ' LEU . 11.3 t80 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 75.33 111.066 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.406 ' O ' HD13 ' A' 2037 ' ' LEU . 13.5 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.338 -0.615 . . . . 43.22 109.338 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.816 HG21 HD11 ' A' 2097 ' ' LEU . 3.3 m -71.88 -11.42 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 61.33 109.218 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -50.27 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.13 109.357 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.723 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -53.6 -50.07 55.03 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 31.23 111.044 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.598 ' H ' HD11 ' A' 2037 ' ' LEU . 35.8 ttp -51.75 -56.86 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 0.718 . . . . 71.54 111.036 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.654 ' CD2' ' CE ' ' A' 2089 ' ' MET . 17.2 m-85 -49.29 -41.66 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.24 111.052 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.533 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.8 mt-10 -76.94 -15.85 59.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 71.55 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.837 ' O ' HD22 ' A' 2054 ' ' LEU . 5.1 t -85.6 -43.9 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.414 1.071 . . . . 75.55 109.274 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -76.97 -44.26 31.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 72.34 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -36.82 -54.67 1.69 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.348 1.03 . . . . 60.32 110.286 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.587 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.06 -51.92 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.432 1.753 . . . . 70.24 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.837 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -47.93 -55.57 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 74.03 109.159 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 3.3 m-70 -60.97 -53.29 59.11 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 73.53 109.545 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.66 -51.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 73.31 109.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.48 -38.47 44.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 55.24 111.026 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.573 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -67.7 -32.42 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 73.22 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.9 mm-40 -77.52 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 70.54 110.325 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -70.35 -18.55 63.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.41 110.274 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.73 77.84 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 42.13 111.087 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 70.13 110.941 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.599 ' NE2' ' NE1' ' A' 2023 ' ' TRP . 0.0 OUTLIER -143.62 -64.55 0.38 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.521 1.138 . . . . 75.43 110.348 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.492 HG23 ' HB2' ' A' 2066 ' ' LYS . 3.7 t -178.0 175.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 62.55 110.423 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.404 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -55.03 -29.27 57.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 73.41 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2066 ' ' LYS . . . . . 0.492 ' HB2' HG23 ' A' 2064 ' ' THR . 12.5 mttp -66.98 -39.98 87.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 74.42 109.25 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.492 ' CD ' ' CH2' ' A' 2023 ' ' TRP . 1.4 tm-20 -82.98 -20.64 34.76 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 74.01 110.267 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 12.0 m -54.44 -28.62 45.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 61.41 110.485 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -37.05 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 70.21 110.095 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.573 ' CE2' HG22 ' A' 2111 ' ' ILE . 9.7 t80 -64.79 -50.42 66.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 74.25 111.024 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 58.3 t30 -65.16 -29.04 69.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 72.11 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -78.42 -54.0 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 61.23 110.232 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.98 -48.98 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 73.51 109.187 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.57 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 15.1 m-85 -94.25 -15.64 24.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 74.52 111.085 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.67 -49.66 1.88 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 74.41 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -48.08 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 0.836 . . . . 60.41 110.288 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.52 -58.69 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 55.41 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.793 HD11 ' HH2' ' A' 2027 ' ' TRP . 55.5 mt -52.57 -42.29 64.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.33 109.26 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.9 mtp -56.04 -44.47 78.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.465 1.103 . . . . 53.11 110.969 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.0 tt0 -66.41 -57.09 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 45.42 110.224 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.36 -41.66 63.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.34 109.264 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2082 ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' 2085 ' ' CYS . 2.5 tp60 -59.7 -43.38 94.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.11 110.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.14 79.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 72.34 110.269 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.459 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.1 m95 -70.43 -33.4 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.927 -1.138 . . . . 72.14 107.927 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' 2082 ' ' GLN . 6.6 t -61.12 -48.08 83.27 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 60.42 108.344 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -61.81 -43.59 98.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 72.25 110.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.17 -43.77 67.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 53.04 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.66 ' CE2' HD12 ' A' 2097 ' ' LEU . 5.7 t80 -72.72 -53.04 12.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 54.42 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.654 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.4 OUTLIER -46.48 -29.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 74.22 111.027 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -56.15 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 61.22 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -160.96 55.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 63.43 110.031 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 55.29 163.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 73.03 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2093 ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' 2092 ' ' GLY . 1.4 m-20 162.14 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 74.41 109.291 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -48.94 -36.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 63.51 109.215 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 7.3 tttt -53.53 -50.87 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 70.01 109.288 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.87 -39.62 76.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 51.41 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.816 HD11 HG21 ' A' 2044 ' ' VAL . 0.5 OUTLIER -59.31 -48.49 81.43 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.417 1.073 . . . . 43.41 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.6 m -60.86 -42.51 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 74.35 110.338 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.446 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.1 OUTLIER -63.69 -46.06 87.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 63.31 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -64.23 -49.02 73.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 72.54 109.331 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.599 ' HD1' HD22 ' A' 2097 ' ' LEU . 2.5 m95 -56.33 -36.8 69.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.001 -1.111 . . . . 75.55 108.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.6 -50.75 70.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.646 ' O ' HG13 ' A' 2107 ' ' VAL . 5.8 mp -54.53 -53.32 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 72.53 109.283 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.418 ' O ' HG22 ' A' 2107 ' ' VAL . 11.9 m-85 -54.1 -56.65 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 74.43 110.978 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.48 -37.65 17.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 62.52 110.98 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2106 ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.4 OUTLIER -62.56 -44.31 96.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 75.23 109.619 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -77.78 -38.86 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 72.44 109.247 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.152 ' CG ' HD22 ' A' 2031 ' ' LEU . 8.9 m-85 -68.71 -33.14 73.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 72.43 110.937 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' 2105 ' ' TYR . 8.7 ptm180 -80.04 -33.67 38.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.659 1.224 . . . . 75.51 110.261 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2110 ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -64.44 -51.38 63.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.533 1.145 . . . . 72.42 110.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.586 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 10.2 pt -44.27 -28.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 73.14 109.247 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 28.8 t -95.21 -55.48 3.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.071 . . . . 71.32 109.964 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 73.34 109.305 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.429 ' CD1' ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.293 -0.632 . . . . 62.21 109.293 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.591 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -77.17 -51.83 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 72.24 107.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.0 m80 -47.26 -22.47 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 74.33 109.586 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' 2023 ' ' TRP . 31.5 tp10 -73.12 -35.36 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 60.21 110.335 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.527 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.2 OUTLIER -72.79 -31.72 65.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 34.04 110.978 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.826 ' HH2' HD11 ' A' 2078 ' ' LEU . 68.7 m95 -72.9 -50.21 25.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.043 -1.095 . . . . 72.41 108.043 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -54.5 -58.99 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 72.22 109.616 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -69.27 -30.58 68.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.59 1.181 . . . . 55.32 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' 2026 ' ' MET . . . -62.39 -63.57 4.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 62.51 110.974 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.103 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.9 tp -60.51 -33.65 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 72.13 109.36 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.34 -53.89 47.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.13 110.265 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.26 -50.42 47.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 70.24 110.36 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.802 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -53.07 -48.39 67.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 42.43 109.326 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 33.6 t -57.28 -47.39 81.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 74.15 110.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -37.37 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 73.11 110.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' 2034 ' ' ALA . 1.8 mt -69.96 -35.79 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 63.51 109.367 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 65.5 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 72.12 110.996 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.647 HD21 ' N ' ' A' 2043 ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.258 -0.645 . . . . 62.51 109.258 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.781 HG12 ' CD2' ' A' 2048 ' ' PHE . 13.6 t -64.74 -10.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.32 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -71.35 -39.68 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 73.24 109.272 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.757 ' O ' HG23 ' A' 2050 ' ' VAL . . . -58.58 -57.41 20.01 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.51 1.132 . . . . 72.24 111.042 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.543 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.51 -43.31 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 43.31 110.993 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.781 ' CD2' HG12 ' A' 2044 ' ' VAL . 1.7 m-85 -69.52 -37.43 77.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.538 1.149 . . . . 75.44 110.999 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 81.4 mt-10 -75.42 -13.54 60.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 74.55 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.928 ' O ' HD22 ' A' 2054 ' ' LEU . 24.5 t -84.95 -44.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 71.35 109.274 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -45.13 32.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 72.23 109.181 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.7 mt-10 -35.78 -55.62 1.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 65.23 110.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.571 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.96 -50.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.4 1.737 . . . . 65.51 110.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.05 -55.25 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 65.45 109.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' 2051 ' ' LEU . 8.1 m-70 -60.67 -51.88 67.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.42 109.624 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.41 -51.51 58.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 72.24 109.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.92 -37.65 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 72.11 110.996 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.591 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -68.1 -32.78 73.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 74.32 110.998 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.49 -63.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 74.33 110.339 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' 2056 ' ' ALA . 2.6 ptm85 -72.54 -12.33 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 74.3 110.27 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -124.96 71.04 0.46 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 53.3 110.949 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.01 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.83 . . . . 65.52 110.972 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.434 ' C ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -144.54 -84.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.53 110.322 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.434 ' CG2' ' C ' ' A' 2063 ' ' GLN . 43.7 p -152.25 -169.18 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 75.2 110.394 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -48.87 -30.76 6.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 70.32 109.152 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -53.27 57.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 73.32 109.322 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.467 ' CG ' ' CH2' ' A' 2023 ' ' TRP . 3.4 tm-20 -58.71 -34.99 71.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 74.35 110.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.0 OUTLIER -55.01 -39.8 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 45.43 110.422 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -39.4 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 62.34 109.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.838 ' CZ ' HG22 ' A' 2111 ' ' ILE . 1.3 t80 -64.83 -53.4 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.22 111.046 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.545 ' O ' ' CA ' ' A' 2075 ' ' GLY . 31.0 t30 -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 75.34 109.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -78.81 -51.22 10.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 73.2 110.26 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.03 -51.54 5.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 63.53 109.237 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.585 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 21.8 m-85 -95.48 -13.42 24.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.6 1.187 . . . . 73.14 110.938 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.545 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.56 -43.71 3.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 54.32 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -46.21 26.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.507 0.769 . . . . 73.13 110.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.91 -59.14 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 70.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.826 HD11 ' HH2' ' A' 2027 ' ' TRP . 9.7 mt -51.91 -39.79 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 73.0 109.287 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 9.4 mmm -57.47 -46.56 83.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 70.44 111.028 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.567 ' HG2' HD21 ' A' 2103 ' ' LEU . 22.7 tt0 -65.36 -58.5 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.4 110.355 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.696 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.9 -41.99 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 72.5 109.298 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.35 84.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.409 1.068 . . . . 63.21 110.296 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -37.48 87.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.129 . . . . 71.3 110.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.57 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 90.9 m95 -65.02 -35.5 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 72.33 108.076 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.0 t -63.51 -57.07 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 75.42 108.262 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -33.54 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 73.44 110.247 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.57 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -71.15 -32.39 68.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 71.13 109.36 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.694 ' CE2' HG11 ' A' 2044 ' ' VAL . 54.9 t80 -79.19 -43.47 23.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 71.12 110.982 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.65 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.6 mtt -65.0 -36.52 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 75.44 110.999 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -58.79 3.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 70.32 109.279 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.37 66.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 74.55 110.059 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.96 15.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 74.31 111.041 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.16 161.81 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 64.34 109.336 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2094 ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' 2095 ' ' LYS . 0.3 OUTLIER -48.39 -43.13 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.625 1.203 . . . . 75.02 109.363 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2095 ' ' LYS . . . . . 0.4 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.9 OUTLIER -49.27 -46.36 46.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 73.32 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2096 ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' 2096 ' ' ASP . 0.5 OUTLIER -66.26 -42.89 87.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 60.13 109.302 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.677 HD22 ' CZ ' ' A' 2088 ' ' TYR . 8.0 tp -60.39 -44.87 95.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 72.43 109.276 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 95.7 m -59.62 -44.13 93.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 72.42 110.453 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.7 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 73.05 110.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.38 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 74.41 109.268 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -32.09 73.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.983 -1.117 . . . . 72.4 107.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -47.67 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 73.43 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.696 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 6.6 mp -54.6 -53.07 59.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 73.22 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.463 ' O ' HG22 ' A' 2107 ' ' VAL . 13.1 m-85 -54.47 -55.06 32.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 71.15 110.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.498 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.8 -37.63 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 75.35 111.001 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -51.41 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.353 1.033 . . . . 60.44 109.64 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -67.71 -48.77 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 74.43 109.263 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.103 ' CG ' HD22 ' A' 2031 ' ' LEU . 13.5 m-85 -61.47 -30.31 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 72.11 110.969 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' 2105 ' ' TYR . 6.1 ttt180 -77.12 -33.41 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 74.33 110.305 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -66.25 -52.28 49.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 75.41 110.338 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.838 HG22 ' CZ ' ' A' 2070 ' ' PHE . 11.2 pt -44.35 -38.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 64.11 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 18.5 p -79.98 -50.59 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 75.13 110.034 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 74.41 109.341 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.337 -0.616 . . . . 71.13 109.337 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.614 ' CG ' ' CE ' ' A' 2058 ' ' MET . 11.5 m0 -63.93 -52.32 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 75.21 107.964 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.7 m80 -45.76 -26.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 74.4 109.643 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2025 ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -71.06 -35.01 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 62.44 110.19 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.557 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.29 -30.87 66.79 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.618 1.199 . . . . 72.5 111.008 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.834 ' HH2' HD11 ' A' 2078 ' ' LEU . 64.3 m95 -72.82 -51.12 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 73.52 108.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -58.8 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 75.04 109.552 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 73.42 110.266 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -58.87 -63.65 5.01 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 52.05 111.003 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.139 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.2 tp -58.98 -33.16 70.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.807 . . . . 60.23 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -53.68 48.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 64.22 110.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -68.64 -50.94 47.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.4 110.348 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -51.55 -49.13 62.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 74.45 109.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 14.6 p -61.44 -38.16 86.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 74.21 109.982 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -35.15 75.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.16 . . . . 73.34 110.251 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.779 HD13 ' HA3' ' A' 2046 ' ' GLY . 1.4 mt -70.57 -47.51 59.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 70.02 109.285 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 47.9 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 75.4 111.076 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.456 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 15.0 m-20 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.287 -0.634 . . . . 71.21 109.287 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.698 HG12 ' CD2' ' A' 2048 ' ' PHE . 40.7 t -63.55 -19.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 64.34 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.92 -35.73 34.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 61.25 109.352 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.811 ' O ' HG23 ' A' 2050 ' ' VAL . . . -59.01 -49.46 78.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.476 1.11 . . . . 10.1 110.967 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.613 ' O ' HD22 ' A' 2051 ' ' LEU . 10.3 tmm? -62.87 -41.75 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.13 111.019 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.698 ' CD2' HG12 ' A' 2044 ' ' VAL . 9.9 m-85 -72.95 -39.34 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 62.42 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -75.57 -14.2 60.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 74.4 110.449 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.925 ' O ' HD22 ' A' 2054 ' ' LEU . 5.4 t -85.05 -43.49 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 74.22 109.257 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.652 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.64 -46.95 23.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.32 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.3 mm-40 -34.53 -54.65 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 70.11 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.05 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 75.2 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.925 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.41 -55.88 9.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.415 1.072 . . . . 62.31 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 61.4 m170 -60.43 -53.09 61.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 73.03 109.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.37 -51.38 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 54.1 109.375 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.534 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.77 -39.06 51.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 65.35 110.957 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.614 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 1.3 mmt -67.4 -31.93 72.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 65.43 111.018 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.1 mm-40 -77.43 -64.74 1.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.446 1.091 . . . . 64.23 110.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' 2056 ' ' ALA . 10.0 ptm180 -70.08 -21.4 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.14 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.534 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.8 0.3 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 73.31 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.361 1.716 . . . . 75.2 110.909 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' 2064 ' ' THR . 0.8 OUTLIER -143.49 -78.12 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 64.41 110.338 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.566 HG23 ' O ' ' A' 2063 ' ' GLN . 17.0 p -157.63 -176.4 5.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.501 1.125 . . . . 74.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -27.88 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 72.41 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.2 mptt -71.65 -42.96 66.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 71.25 109.388 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.446 ' CB ' ' HB2' ' A' 2063 ' ' GLN . 0.2 OUTLIER -74.77 -19.8 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 74.23 110.312 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -61.42 -38.68 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 44.5 110.447 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 13.6 m -73.84 -29.93 62.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 64.23 110.073 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.448 ' O ' ' CD2' ' A' 2074 ' ' TYR . 5.4 t80 -68.72 -53.33 22.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 71.34 111.018 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.08 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 72.11 109.365 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -78.02 -43.41 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 61.42 110.32 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.06 14.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.21 109.287 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.566 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.1 m-85 -88.37 -23.46 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.2 110.927 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -36.31 -35.25 0.1 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.534 1.146 . . . . 60.34 110.932 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2076 ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.26 -56.67 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 60.1 110.309 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.32 -55.8 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 71.41 109.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.834 HD11 ' HH2' ' A' 2027 ' ' TRP . 17.9 mt -52.46 -37.25 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 74.12 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -47.32 86.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 52.21 111.041 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.589 ' HG2' HD21 ' A' 2103 ' ' LEU . 2.8 tt0 -63.33 -59.92 4.07 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.63 1.207 . . . . 71.23 110.379 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.677 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -52.62 -41.61 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 62.31 109.259 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -43.36 82.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.494 1.121 . . . . 64.15 110.366 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -38.47 90.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 60.33 110.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.421 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.7 m95 -65.27 -33.64 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 71.15 108.012 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 6.6 t -65.49 -58.2 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 63.24 108.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -40.86 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 61.33 110.307 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.31 87.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 75.11 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.56 ' CE2' HD12 ' A' 2097 ' ' LEU . 3.1 t80 -74.4 -52.18 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 74.12 111.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.571 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -54.04 -31.74 52.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 64.24 110.938 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -71.72 -58.37 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.04 109.315 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.59 66.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 64.04 110.137 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -113.6 -139.4 7.27 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.434 1.084 . . . . 72.01 110.965 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.45 164.25 38.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 73.33 109.35 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -34.39 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.5 109.327 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.34 -49.11 45.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 75.44 109.346 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.08 -35.3 76.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 63.24 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' 2088 ' ' TYR . 0.9 OUTLIER -64.18 -45.35 88.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 72.01 109.315 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 52.6 m -61.83 -45.14 95.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 62.25 110.372 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.448 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.2 OUTLIER -56.26 -46.09 79.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 73.12 110.316 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -63.01 -39.79 95.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.44 109.331 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' 2105 ' ' TYR . 1.1 m95 -65.12 -32.68 74.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 74.34 107.998 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -50.67 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 72.34 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.677 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 7.5 mp -54.41 -52.9 60.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 50.34 109.342 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' 2107 ' ' VAL . 13.4 m-85 -53.79 -56.01 21.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 74.41 110.956 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.71 -36.7 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 71.52 111.042 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2106 ' ' HIS . . . . . 0.45 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.9 OUTLIER -63.39 -45.36 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 71.43 109.616 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -76.17 -37.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 74.33 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.139 ' CG ' HD22 ' A' 2031 ' ' LEU . 7.3 m-85 -69.46 -33.61 73.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 70.14 111.072 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.494 HH21 ' CE ' ' A' 2113 ' ' LYS . 0.1 OUTLIER -81.72 -28.54 33.36 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.474 1.109 . . . . 65.32 110.274 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2110 ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' 2106 ' ' HIS . 0.3 OUTLIER -69.38 -52.44 27.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 75.21 110.311 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' 2108 ' ' PHE . 3.3 pt -42.42 -33.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.3 109.262 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2112 ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' 2113 ' ' LYS . 81.5 p -84.83 -56.91 3.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 74.42 110.007 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2113 ' ' LYS . . . . . 0.494 ' CE ' HH21 ' A' 2109 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.548 0 O-C-N 124.511 1.132 . . . . 73.5 109.203 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' 2023 ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.351 -0.611 . . . . 63.43 109.351 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.733 ' H ' HD23 ' A' 2022 ' ' LEU . 5.0 m0 -48.78 -49.68 37.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.53 108.132 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m170 -47.18 -22.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.14 109.576 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.1 tt0 -72.99 -36.02 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 62.11 110.236 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.561 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -72.76 -32.67 65.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.384 1.052 . . . . 73.22 110.918 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.821 ' HH2' HD11 ' A' 2078 ' ' LEU . 69.3 m95 -71.82 -51.62 21.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 63.01 108.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -59.6 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 74.04 109.595 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.412 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 9.0 pt-20 -67.46 -33.94 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.01 110.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' 2026 ' ' MET . . . -59.69 -64.17 4.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 45.44 110.947 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.132 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.4 tp -60.28 -30.53 69.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 64.14 109.31 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 4.7 mm-40 -54.72 -53.27 57.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.35 110.352 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.436 ' HG2' HG21 ' A' 2050 ' ' VAL . 1.8 tt0 -68.88 -50.13 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 72.31 110.33 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -55.92 -48.52 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.48 1.113 . . . . 62.54 109.415 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' 2031 ' ' LEU . 83.6 p -56.82 -43.88 81.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 71.13 110.052 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -34.16 75.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 63.21 110.281 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' 2034 ' ' ALA . 3.1 mt -69.78 -33.48 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 74.24 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 73.04 110.954 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.382 -0.599 . . . . 70.14 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.757 HG12 ' CE2' ' A' 2048 ' ' PHE . 35.6 t -53.24 -20.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 73.23 109.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.89 -37.12 41.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 70.4 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.26 -55.2 27.68 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.539 1.149 . . . . 64.42 111.011 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.575 ' CE ' HG13 ' A' 2044 ' ' VAL . 9.0 tmm? -57.7 -55.07 39.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 62.44 111.068 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.757 ' CE2' HG12 ' A' 2044 ' ' VAL . 10.3 m-85 -50.06 -43.68 51.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 73.5 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.8 OUTLIER -76.01 -15.4 60.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 63.02 110.344 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.989 ' O ' HD22 ' A' 2054 ' ' LEU . 12.1 t -85.87 -44.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.142 . . . . 72.32 109.357 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.85 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.27 -41.8 39.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 60.31 109.204 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.7 OUTLIER -38.79 -54.69 3.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 74.45 110.223 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.01 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 63.41 110.939 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.01 -54.92 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 63.14 109.331 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' 2059 ' ' GLU . 3.4 m-70 -60.37 -52.95 63.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 64.41 109.66 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.02 -51.8 54.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 61.55 109.3 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.58 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.58 -35.84 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 62.2 110.973 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.561 ' HE3' ' CE ' ' A' 2026 ' ' MET . 1.4 mmt -70.58 -31.89 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.193 . . . . 65.41 110.984 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.9 mm-40 -77.63 -64.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 74.03 110.316 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.5 -24.52 61.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 70.14 110.347 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.58 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.99 81.67 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 43.21 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 65.1 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.645 ' O ' HG23 ' A' 2064 ' ' THR . 9.0 tt0 -133.75 -62.67 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 74.42 110.163 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.645 HG23 ' O ' ' A' 2063 ' ' GLN . 5.0 p -158.83 -169.44 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 73.42 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.5 OUTLIER -69.83 -27.3 64.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 71.25 109.252 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -75.03 -32.45 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 74.45 109.249 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.577 ' HG3' ' CH2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -46.19 -25.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 75.35 110.34 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' 2072 ' ' GLN . 35.8 p -55.13 -48.44 73.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 61.4 110.409 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2069 ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' 2073 ' ' ALA . 8.0 t -53.55 -42.59 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 54.45 109.916 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' 2111 ' ' ILE . 22.4 t80 -72.86 -53.96 10.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.385 1.053 . . . . 75.44 110.905 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.526 ' O ' ' CA ' ' A' 2075 ' ' GLY . 16.8 t-20 -59.35 -31.89 69.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 72.31 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2072 ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' 2068 ' ' THR . 2.7 mt-30 -80.91 -51.59 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.637 1.211 . . . . 71.41 110.382 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2073 ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -42.47 -43.75 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 62.4 109.227 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.7 m-85 -102.88 -15.68 16.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 64.51 110.93 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.83 -53.08 2.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 53.54 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.14 -39.27 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 75.14 110.196 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.43 -61.28 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.34 109.304 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.821 HD11 ' HH2' ' A' 2027 ' ' TRP . 16.7 mt -52.1 -38.1 56.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 41.42 109.266 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 12.6 mmm -58.07 -47.94 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 71.41 111.04 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -62.91 -59.35 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 74.52 110.227 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.13 -41.61 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 54.5 109.317 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -55.31 -44.15 75.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.35 110.273 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.43 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.12 -36.59 84.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 73.45 110.276 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.2 m95 -71.14 -32.58 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.016 -1.105 . . . . 73.44 108.016 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.48 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 11.1 t -61.07 -49.56 76.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 73.42 108.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 74.43 110.328 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.43 ' CE ' ' HG3' ' A' 2083 ' ' GLU . 10.1 mttt -49.7 -48.86 49.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 73.24 109.275 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 7.5 t80 -69.94 -52.52 23.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 72.54 111.075 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.478 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -46.18 -25.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 71.24 111.008 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -41.66 88.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 74.32 109.249 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.77 -47.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 40.45 110.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 130.77 88.77 0.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 73.21 110.89 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2093 ' ' ASN . . . . . 0.477 ' N ' ' CD2' ' A' 2088 ' ' TYR . 2.3 m-20 -110.83 96.43 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 73.2 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 t -46.09 -44.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 73.41 109.325 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -46.89 69.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 65.15 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -69.04 -49.88 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 72.53 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.741 HD21 HG21 ' A' 2044 ' ' VAL . 21.7 tp -53.9 -44.78 70.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 73.24 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 5.9 m -59.69 -48.4 81.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 70.33 110.462 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -40.42 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 75.02 110.289 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -67.57 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 63.42 109.397 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.5 m95 -72.53 -29.75 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 75.53 107.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.8 -50.89 30.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 73.41 109.294 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.688 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 3.7 mt -55.8 -51.13 68.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 72.02 109.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' 2100 ' ' ALA . 12.9 m-85 -53.17 -56.03 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 71.22 110.953 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.19 -38.68 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 73.13 111.064 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -50.48 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 73.23 109.594 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -70.82 -49.27 51.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 64.44 109.365 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.132 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -59.64 -31.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 71.44 110.952 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.9 OUTLIER -78.29 -35.58 47.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.43 110.271 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -50.8 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 75.25 110.361 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.618 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -47.83 -35.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 75.43 109.368 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 1.8 p -80.71 -43.73 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 53.31 109.956 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2113 ' ' LYS . . . . . 0.441 ' HZ1' HH21 ' A' 2109 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 70.44 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.284 -0.636 . . . . 65.31 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.566 ' CE3' ' SD ' ' A' 2058 ' ' MET . 7.5 m0 -78.13 -48.22 16.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.005 -1.109 . . . . 73.3 108.005 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.9 m80 -47.47 -22.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 74.22 109.602 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -70.43 -37.02 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 75.24 110.345 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.505 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -75.11 -31.62 61.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 75.01 110.979 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.771 ' HH2' HD11 ' A' 2078 ' ' LEU . 69.2 m95 -71.56 -51.06 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 75.11 108.078 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2028 ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' 2032 ' ' GLU . 0.7 OUTLIER -56.07 -51.57 67.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 71.53 109.567 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.3 mm-40 -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 65.24 110.292 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' 2026 ' ' MET . . . -60.31 -65.23 3.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 61.34 110.958 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.12 HD22 ' CG ' ' A' 2108 ' ' PHE . 0.9 OUTLIER -61.27 -31.79 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 0.714 . . . . 72.31 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 7.8 mt-10 -54.23 -49.89 68.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 74.24 110.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.73 -51.05 11.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 74.11 110.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.532 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -52.29 -43.42 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 72.45 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' 2031 ' ' LEU . 27.2 p -73.54 -49.77 24.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 55.21 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -48.0 49.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 74.24 110.362 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' 2038 ' ' TYR . 4.0 pp -70.47 -46.52 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 71.12 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.843 ' N ' HD12 ' A' 2037 ' ' LEU . 68.3 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.358 1.036 . . . . 74.54 110.945 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 71.05 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.943 HG21 HD21 ' A' 2097 ' ' LEU . 53.3 t -57.04 -20.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 55.15 109.367 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -49.91 -42.12 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 63.32 109.286 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.499 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -54.12 -54.11 33.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 60.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.552 ' HE3' ' CG1' ' A' 2044 ' ' VAL . 12.2 tmm? -52.59 -55.12 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.801 . . . . 62.1 110.971 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.673 ' CD2' ' HE3' ' A' 2089 ' ' MET . 8.4 m-85 -51.48 -39.33 57.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 73.43 111.019 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.1 mt-10 -76.86 -16.17 59.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 63.43 110.356 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.986 ' O ' HD22 ' A' 2054 ' ' LEU . 4.4 t -87.01 -43.54 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 71.44 109.258 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.73 -39.53 44.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 75.14 109.324 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' 2048 ' ' PHE . 1.1 mm-40 -40.83 -54.57 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.32 110.378 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.593 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.9 Cg_endo -75.03 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.434 1.755 . . . . 71.41 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.76 -53.93 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 54.35 109.282 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2055 ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.87 -52.74 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 52.25 109.617 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.51 -51.31 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.637 1.211 . . . . 75.34 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.21 -37.42 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.4 111.032 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.566 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.1 mmt -69.13 -32.01 71.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 71.43 111.007 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.22 -63.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.15 110.352 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' 2056 ' ' ALA . 8.5 ptm180 -71.59 -20.71 61.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 64.34 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.19 80.49 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 75.3 110.971 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 74.22 110.996 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.498 ' HG2' HG22 ' A' 2064 ' ' THR . 10.6 tt0 -143.36 -75.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 75.24 110.374 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.498 HG22 ' HG2' ' A' 2063 ' ' GLN . 1.2 t -163.89 165.5 22.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 72.21 110.425 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' 2065 ' ' LEU . 3.1 mt -54.46 -27.85 40.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 74.01 109.361 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 5.6 tttm -71.24 -35.79 71.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 51.34 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 0.0 OUTLIER -85.79 -19.02 31.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 74.42 110.334 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.1 m -54.26 -26.45 29.04 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.471 1.107 . . . . 75.52 110.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -38.36 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 72.11 109.979 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.623 ' CE2' HG22 ' A' 2111 ' ' ILE . 4.5 t80 -63.85 -47.56 80.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.382 1.051 . . . . 74.3 110.963 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.509 ' O ' ' CA ' ' A' 2075 ' ' GLY . 6.7 t30 -69.52 -28.47 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 62.03 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -54.1 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 65.31 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.44 -52.14 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 70.32 109.247 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.3 m-85 -91.55 -15.31 28.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 63.51 111.081 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.1 -43.88 1.94 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 63.11 111.012 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -50.52 12.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 0.803 . . . . 63.14 110.362 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.79 -54.94 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.11 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.771 HD11 ' HH2' ' A' 2027 ' ' TRP . 52.6 mt -52.48 -38.16 58.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 74.3 109.346 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.469 1.105 . . . . 75.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.54 ' OE1' HD21 ' A' 2103 ' ' LEU . 31.5 tt0 -62.64 -54.33 41.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.634 1.209 . . . . 73.24 110.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.56 -39.34 64.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.436 1.085 . . . . 63.12 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -39.71 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 72.44 110.266 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -39.0 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 71.15 110.278 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.435 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.8 m95 -68.61 -34.54 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 72.32 108.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -58.25 -56.41 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 63.12 108.329 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -37.66 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 63.24 110.35 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.451 ' CB ' ' OD2' ' A' 2096 ' ' ASP . 1.8 mtpp -56.56 -48.89 76.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 72.33 109.272 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -70.67 -45.67 64.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 63.52 111.008 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.673 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -56.44 -30.57 63.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 75.11 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.91 -57.3 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 72.04 109.32 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 23.1 t -69.83 -63.02 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 65.25 110.003 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.9 84.17 1.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 74.32 110.969 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.68 125.26 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 62.04 109.349 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 p -61.68 -38.81 81.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 62.23 109.212 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.2 tttt -49.5 -51.72 34.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.517 1.136 . . . . 71.11 109.23 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2096 ' ' ASP . . . . . 0.466 ' OD1' ' C ' ' A' 2096 ' ' ASP . 0.6 OUTLIER -64.98 -42.8 94.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 70.15 109.325 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.943 HD21 HG21 ' A' 2044 ' ' VAL . 2.5 tp -58.18 -46.79 85.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 72.01 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 21.0 m -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 63.32 110.455 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -48.09 75.59 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.509 1.13 . . . . 63.34 110.265 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.36 -47.04 87.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 72.21 109.34 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.452 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.1 m95 -58.19 -31.0 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.955 -1.128 . . . . 64.35 107.955 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.04 -49.69 66.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 65.44 109.298 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' 2107 ' ' VAL . 6.3 mp -54.41 -52.91 60.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.54 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' 2107 ' ' VAL . 11.1 m-85 -53.87 -55.87 22.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 65.33 111.084 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.81 -36.94 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 64.3 110.963 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -50.71 70.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 72.15 109.537 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -70.48 -49.37 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 63.33 109.303 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.12 ' CG ' HD22 ' A' 2031 ' ' LEU . 15.0 m-85 -59.77 -29.86 68.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 75.02 111.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.8 OUTLIER -76.84 -39.78 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.172 . . . . 72.13 110.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -51.33 69.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 73.23 110.296 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.623 HG22 ' CE2' ' A' 2070 ' ' PHE . 19.0 pt -46.22 -39.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.36 1.037 . . . . 72.45 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 16.0 p -81.93 -53.82 5.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 71.34 110.009 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 74.14 109.344 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.48 HD12 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.251 -0.648 . . . . 62.25 109.251 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.584 ' CE3' ' SD ' ' A' 2058 ' ' MET . 11.5 m0 -56.46 -48.21 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 73.35 108.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -46.9 -25.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 73.34 109.606 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' 2022 ' ' LEU . 36.9 tt0 -70.69 -33.68 71.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 55.2 110.265 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.967 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -75.32 -30.54 60.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 75.15 110.908 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.824 ' HH2' HD11 ' A' 2078 ' ' LEU . 62.9 m95 -71.56 -50.88 26.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.175 . . . . 71.23 108.068 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -57.93 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 52.32 109.568 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.71 -35.2 79.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 70.23 110.204 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.29 -63.31 4.99 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 55.13 111.017 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.123 HD22 ' CG ' ' A' 2108 ' ' PHE . 6.5 tp -56.92 -36.99 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 44.45 109.364 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.06 -53.97 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 75.45 110.3 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.766 ' OE2' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER -61.55 -50.4 72.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 74.12 110.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -55.1 -40.87 70.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 71.11 109.267 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' 2031 ' ' LEU . 0.6 OUTLIER -72.41 -51.96 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 63.04 109.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -50.79 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 72.31 110.262 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.766 HD23 ' OE2' ' A' 2033 ' ' GLU . 3.1 pp -68.7 -45.08 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 72.02 109.368 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' 2044 ' ' VAL . 19.9 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 72.4 111.038 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.42 ' HB3' ' HG2' ' A' 2045 ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.303 -0.628 . . . . 73.21 109.303 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.654 HG21 HD11 ' A' 2097 ' ' LEU . 34.5 m -77.33 -29.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 70.14 109.35 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.15 -40.86 25.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 64.33 109.289 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.96 -50.65 64.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 63.04 110.967 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.499 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 4.7 tmm? -53.49 -44.68 69.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 0.699 . . . . 74.04 111.045 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.47 ' CD1' ' SD ' ' A' 2047 ' ' MET . 11.2 m-85 -65.8 -36.18 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 62.55 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.6 mm-40 -75.89 -14.42 60.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 72.2 110.289 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.578 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.3 t -84.62 -43.18 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 65.34 109.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.695 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.75 -46.19 26.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.373 1.046 . . . . 74.13 109.254 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.35 -55.09 1.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 75.24 110.301 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.578 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.06 -50.96 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 74.53 110.939 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.967 HD22 ' SD ' ' A' 2026 ' ' MET . 27.9 mt -49.34 -56.49 9.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 72.23 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 3.0 m-70 -59.91 -53.06 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 75.15 109.663 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.86 -50.52 45.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.24 109.408 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.52 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.17 -38.23 50.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 74.13 111.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.584 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -67.81 -32.5 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.381 1.051 . . . . 53.04 111.042 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.2 mm-40 -77.12 -64.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 74.05 110.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 2056 ' ' ALA . 3.7 ptt180 -69.49 -21.9 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 71.21 110.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.35 84.7 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 70.24 111.009 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.542 1.811 . . . . 61.55 111.067 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.506 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.9 OUTLIER -152.04 -73.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 71.55 110.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' 2063 ' ' GLN . 26.6 p -157.51 177.71 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 72.31 110.418 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.93 -27.87 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 64.42 109.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -36.76 78.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 71.13 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.542 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 3.2 mm-40 -81.4 -23.57 37.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 72.41 110.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -55.73 -34.7 65.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.21 110.393 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.6 t -74.04 -36.74 64.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.4 110.006 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.631 ' CE2' HG22 ' A' 2111 ' ' ILE . 9.8 t80 -63.96 -48.24 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.22 111.089 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' 2075 ' ' GLY . 9.0 t-20 -66.85 -28.92 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 73.32 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -79.12 -52.29 8.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.32 110.291 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.92 -35.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.378 1.049 . . . . 62.32 109.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.589 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.8 m-85 -107.72 -20.58 13.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 75.14 111.005 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -37.23 -39.18 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.283 0.99 . . . . 64.22 110.919 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -78.38 -48.25 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 71.03 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.02 -56.98 14.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 71.34 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.824 HD11 ' HH2' ' A' 2027 ' ' TRP . 11.6 mt -52.53 -39.15 61.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 74.34 109.339 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.5 mmm -57.73 -48.29 80.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 50.32 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.97 -55.92 28.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.612 1.195 . . . . 70.1 110.38 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -55.79 -43.14 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.576 1.172 . . . . 71.23 109.269 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -53.73 -40.22 65.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 75.41 110.376 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.496 ' HA ' ' NE ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -68.15 -37.13 80.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 64.22 110.235 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.52 -23.53 58.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.187 . . . . 71.34 107.969 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 9.9 t -67.67 -58.94 3.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 71.45 108.39 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' 2083 ' ' GLU . 4.8 ptt180 -63.24 -27.56 69.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 72.12 110.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.465 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.4 OUTLIER -61.09 -54.91 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.33 109.326 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.433 ' CZ ' HD12 ' A' 2097 ' ' LEU . 9.1 t80 -67.63 -34.78 77.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 72.24 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -50.06 61.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 63.31 111.053 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -58.13 8.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 65.44 109.355 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.53 66.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 72.42 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -111.8 -130.75 5.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 62.41 110.977 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -161.47 167.75 24.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 0.774 . . . . 72.31 109.227 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.3 -33.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 72.45 109.259 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 14.2 tttt -50.52 -49.45 55.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 71.31 109.239 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.62 74.47 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.616 1.197 . . . . 63.41 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.654 HD11 HG21 ' A' 2044 ' ' VAL . 0.7 OUTLIER -66.38 -49.09 68.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 74.14 109.366 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -59.27 -42.41 91.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.634 1.209 . . . . 61.53 110.383 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -43.86 95.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 71.4 110.363 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.612 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -63.64 -40.4 96.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.25 109.297 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.419 ' NE1' ' HG3' ' A' 2047 ' ' MET . 0.8 OUTLIER -70.25 -29.79 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 73.34 108.01 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.96 -51.02 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 72.33 109.408 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.662 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 4.3 mt -55.27 -53.17 59.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.591 1.182 . . . . 70.13 109.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' 2100 ' ' ALA . 20.0 m-85 -54.57 -56.27 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 74.14 110.948 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 1.1 t80 -47.71 -34.88 8.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 54.2 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -53.94 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 72.22 109.541 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' 2103 ' ' LEU . 0.9 OUTLIER -63.51 -49.98 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 64.22 109.344 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.123 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -57.39 -29.33 63.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 74.23 110.975 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 1.1 mtt180 -76.05 -38.51 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 73.21 110.191 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -51.19 69.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 71.25 110.339 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.631 HG22 ' CE2' ' A' 2070 ' ' PHE . 16.1 pt -48.14 -27.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 74.12 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.56 -50.88 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.13 109.898 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 72.02 109.342 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' 2022 ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.307 -0.627 . . . . 60.24 109.307 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.602 ' CZ2' ' OE1' ' A' 2063 ' ' GLN . 10.6 m0 -63.88 -51.04 66.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.886 -1.153 . . . . 62.5 107.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2024 ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' 2024 ' ' HIS . 2.0 m170 -45.84 -24.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 75.55 109.537 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' 2029 ' ' GLU . 2.9 tt0 -73.62 -40.25 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 64.33 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.523 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.1 OUTLIER -67.08 -31.45 71.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 74.53 111.051 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.762 ' HH2' HD11 ' A' 2078 ' ' LEU . 66.2 m95 -73.01 -50.8 21.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 75.31 108.017 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -50.69 72.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 72.3 109.551 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.1 mm-40 -67.38 -45.64 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 75.43 110.328 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -52.29 -64.64 3.85 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.605 1.191 . . . . 62.45 110.996 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.156 HD22 ' CG ' ' A' 2108 ' ' PHE . 1.9 tp -58.97 -34.04 71.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.787 . . . . 72.45 109.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -53.61 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 74.21 110.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' 2037 ' ' LEU . 4.1 tt0 -69.44 -51.09 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 73.11 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.502 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -50.99 -46.96 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 72.54 109.323 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 2031 ' ' LEU . 4.3 t -65.66 -53.73 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 54.14 110.013 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -48.49 57.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.5 1.125 . . . . 72.2 110.239 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.949 HD12 ' N ' ' A' 2038 ' ' TYR . 2.9 pp -70.73 -44.34 67.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 75.15 109.257 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.949 ' N ' HD12 ' A' 2037 ' ' LEU . 27.6 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.24 111.014 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.425 ' O ' HD13 ' A' 2037 ' ' LEU . 32.6 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.268 -0.641 . . . . 73.22 109.268 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.922 HG21 HD21 ' A' 2097 ' ' LEU . 55.5 t -51.71 -22.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 72.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -45.91 62.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 73.34 109.274 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.584 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -53.46 -54.01 32.26 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.477 1.11 . . . . 72.5 110.976 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.613 ' CE ' HG13 ' A' 2044 ' ' VAL . 12.7 tmm? -51.49 -54.73 24.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 0.782 . . . . 70.33 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.711 ' CE2' HG12 ' A' 2044 ' ' VAL . 20.6 m-85 -49.84 -42.81 48.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 75.12 111.052 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 2.4 mm-40 -76.87 -15.29 59.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 64.01 110.254 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.78 ' O ' HD22 ' A' 2054 ' ' LEU . 6.2 t -85.31 -45.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 72.21 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.29 -43.1 34.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 70.54 109.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -37.19 -54.63 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 74.24 110.31 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.585 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.95 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 75.14 110.929 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.03 -55.56 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 64.23 109.354 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' 2051 ' ' LEU . 17.6 m-70 -61.2 -52.44 64.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 70.12 109.598 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.22 -52.32 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 74.05 109.349 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.518 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -49.98 -38.84 38.82 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.529 1.143 . . . . 62.22 110.997 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.4 mmt -68.51 -31.63 71.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 74.51 110.993 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.1 mt-10 -78.11 -63.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 50.13 110.369 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.78 -15.95 62.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 71.43 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.82 75.05 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.437 1.086 . . . . 62.41 111.073 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.0 Cg_endo -75.13 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.463 1.77 . . . . 74.31 110.931 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.626 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -139.4 -81.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 71.52 110.315 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.626 HG23 ' O ' ' A' 2063 ' ' GLN . 1.9 p -157.73 -172.7 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 63.05 110.333 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.82 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 54.54 109.268 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -36.68 76.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.31 109.249 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.27 -21.21 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 74.32 110.253 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 3.8 m -54.33 -27.01 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 44.14 110.364 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.0 t -68.8 -38.44 79.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 64.11 109.961 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' 2111 ' ' ILE . 10.9 t80 -66.97 -52.93 36.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.391 1.057 . . . . 73.2 111.042 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' 2075 ' ' GLY . 1.7 t-20 -59.02 -30.52 68.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 62.32 109.337 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -79.22 -40.02 31.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 64.04 110.348 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -53.01 -35.18 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 74.44 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.81 ' HD1' HG22 ' A' 2107 ' ' VAL . 55.4 m-85 -108.58 -17.21 14.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 74.2 110.877 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.76 -46.81 0.89 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.5 1.125 . . . . 43.24 111.049 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -39.3 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 0.822 . . . . 64.3 110.284 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' 2074 ' ' TYR . 16.6 m-20 -58.32 -60.12 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 71.41 109.264 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.762 HD11 ' HH2' ' A' 2027 ' ' TRP . 23.1 mt -52.58 -39.76 61.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.2 . . . . 73.35 109.366 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.85 -45.77 78.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 71.04 111.058 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.506 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.8 tt0 -66.31 -61.39 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 74.12 110.396 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.95 -42.05 65.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.606 1.191 . . . . 54.13 109.36 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2082 ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.5 tt0 -57.57 -41.66 81.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 65.04 110.274 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -63.1 -38.36 90.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.44 110.276 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.601 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 94.4 m95 -72.71 -23.48 60.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 74.41 108.035 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 1.3 m -73.29 -58.7 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 73.25 108.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 6.2 ptt180 -66.86 -27.89 67.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 71.34 110.224 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -68.9 -44.54 72.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 71.12 109.306 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.4 OUTLIER -71.53 -37.65 71.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.591 1.182 . . . . 65.51 111.077 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.601 ' HE2' ' CE2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -65.0 -38.03 89.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 72.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -41.33 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 73.32 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' 2087 ' ' LYS . 8.5 t -81.52 -71.61 0.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.39 1.057 . . . . 64.2 109.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 106.68 90.73 2.18 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.473 1.108 . . . . 72.23 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.82 106.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 71.41 109.319 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.5 t -46.56 -40.9 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 72.21 109.288 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -49.57 -48.2 48.78 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.465 1.103 . . . . 73.43 109.307 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -65.51 -39.25 91.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 62.44 109.321 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.922 HD21 HG21 ' A' 2044 ' ' VAL . 4.1 tp -63.82 -46.03 86.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.396 1.06 . . . . 72.43 109.236 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -57.69 -43.13 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 64.43 110.373 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.4 ' O ' HD12 ' A' 2103 ' ' LEU . 0.0 OUTLIER -62.12 -41.25 98.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 74.44 110.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -65.09 -40.9 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 74.04 109.342 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.416 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.0 OUTLIER -64.64 -32.13 73.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 74.41 108.089 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -51.17 61.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 61.13 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.2 mp -54.7 -49.53 70.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 71.54 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -56.54 -51.68 67.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 70.22 111.089 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -47.44 -46.22 26.45 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.529 1.143 . . . . 63.41 110.995 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.21 -40.99 99.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 62.04 109.593 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.81 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.8 t -66.45 -57.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 62.2 109.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.156 ' CG ' HD22 ' A' 2031 ' ' LEU . 32.4 m-85 -62.57 -29.12 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 73.22 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.6 ttm180 -74.9 -30.05 61.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 74.43 110.196 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -51.13 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.12 110.353 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.704 HG23 ' OH ' ' A' 2074 ' ' TYR . 14.4 pt -47.55 -29.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 71.11 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 45.1 t -86.1 -51.23 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 73.44 109.968 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 74.52 109.334 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.882 HD23 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.24 -0.652 . . . . 74.04 109.24 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.882 ' H ' HD23 ' A' 2022 ' ' LEU . 10.7 m0 -47.89 -43.75 28.94 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.098 . . . . 74.54 108.034 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.6 m80 -47.53 -23.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 61.34 109.517 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.0 tt0 -71.01 -35.8 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 70.3 110.234 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.499 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.1 OUTLIER -74.48 -31.53 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 64.42 110.994 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.771 ' HH2' HD11 ' A' 2078 ' ' LEU . 72.7 m95 -74.01 -37.61 64.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 73.2 108.026 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2028 ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' 2032 ' ' GLU . 0.2 OUTLIER -68.88 -56.74 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.13 109.577 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 2.2 pp20? -69.47 -36.37 76.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 62.15 110.408 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' 2026 ' ' MET . . . -58.52 -65.06 3.77 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.431 1.082 . . . . 65.24 110.989 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.16 HD22 ' CG ' ' A' 2108 ' ' PHE . 2.7 tp -61.36 -30.53 70.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 73.32 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' 2028 ' ' HIS . 6.9 mm-40 -53.32 -52.14 60.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.32 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.08 -51.15 16.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 74.21 110.412 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -51.42 -42.66 61.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 62.13 109.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 79.3 p -72.34 -48.91 38.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 43.51 110.062 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -50.31 -51.88 41.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 73.34 110.318 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.496 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 3.9 pp -68.29 -46.88 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.068 . . . . 70.4 109.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.731 ' HD1' HG12 ' A' 2044 ' ' VAL . 27.7 t80 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 73.32 110.991 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.263 -0.643 . . . . 72.34 109.263 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.839 HG11 ' CD1' ' A' 2097 ' ' LEU . 32.1 m -65.37 -12.42 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 31.43 109.276 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.66 -39.09 49.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.508 1.13 . . . . 74.3 109.251 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.849 ' O ' HG23 ' A' 2050 ' ' VAL . . . -55.5 -44.32 85.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 51.24 111.056 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.495 ' O ' ' HG ' ' A' 2051 ' ' LEU . 30.7 ttp -65.54 -55.54 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 64.04 110.923 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.588 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 31.2 m-85 -50.41 -44.99 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 61.23 110.999 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.5 pp20? -75.51 -16.52 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 71.43 110.337 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' 2046 ' ' GLY . 3.9 t -85.1 -45.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.557 1.16 . . . . 72.31 109.35 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.859 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -76.93 -42.58 38.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 75.04 109.294 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.6 OUTLIER -36.94 -55.04 1.68 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 44.25 110.339 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.584 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -75.03 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 63.33 111.055 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' 2054 ' ' LEU . 0.1 OUTLIER -48.85 -56.15 9.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 75.11 109.262 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' 2051 ' ' LEU . 2.8 m-70 -60.05 -52.35 65.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 73.11 109.658 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.55 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 73.41 109.317 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.553 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.23 -36.88 32.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 65.13 111.005 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.607 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -69.93 -31.67 69.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 74.03 111.053 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.53 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 72.42 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.8 ptp180 -71.2 -20.99 62.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.53 110.399 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.28 80.34 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 73.4 111.063 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 72.25 110.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.709 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -145.93 -76.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.52 110.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.709 HG23 ' O ' ' A' 2063 ' ' GLN . 2.0 p -160.58 -169.05 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 71.13 110.457 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' 2065 ' ' LEU . 0.3 OUTLIER -66.69 -28.1 68.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 64.21 109.268 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.27 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 73.44 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.553 ' HG2' ' CH2' ' A' 2023 ' ' TRP . 3.3 tp10 -76.55 -18.47 58.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 74.22 110.279 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 15.7 m -63.19 -35.85 81.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.24 110.422 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.5 m -70.76 -31.64 68.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.11 109.986 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.553 ' HE2' HG22 ' A' 2111 ' ' ILE . 32.0 t80 -66.18 -52.68 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 65.41 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.505 ' O ' ' CA ' ' A' 2075 ' ' GLY . 28.9 t-20 -63.5 -29.12 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 61.45 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.6 -53.2 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 73.15 110.371 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.0 -46.44 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 61.13 109.241 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.58 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.5 m-85 -97.8 -14.98 20.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 75.3 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.44 -39.42 1.15 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 43.2 111.043 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -51.74 9.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.376 0.692 . . . . 71.12 110.248 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.05 -54.15 43.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 74.41 109.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.771 HD11 ' HH2' ' A' 2027 ' ' TRP . 16.9 mt -52.95 -36.59 60.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 73.32 109.295 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 ttp -63.16 -47.24 83.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.15 110.94 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.8 tt0 -64.38 -58.54 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.635 1.209 . . . . 74.02 110.361 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.751 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.12 -42.13 65.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.23 109.238 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.97 -39.33 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 74.13 110.309 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -37.51 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.22 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.549 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.7 m95 -68.21 -33.88 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.015 -1.105 . . . . 63.54 108.015 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.95 -55.81 12.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 73.24 108.259 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.76 -44.22 86.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 72.53 110.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.549 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.48 -34.68 75.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 62.13 109.198 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.561 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.4 OUTLIER -74.92 -42.66 57.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 72.34 111.081 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.489 ' HE1' ' CG ' ' A' 2048 ' ' PHE . 1.3 mtt -62.35 -32.34 73.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.11 110.956 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -48.6 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 64.15 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.9 t -77.2 -67.41 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 75.31 109.946 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 101.71 108.13 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.422 1.076 . . . . 54.35 111.019 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.46 120.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 74.03 109.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 t -56.72 -40.07 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.112 . . . . 65.13 109.31 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 15.1 tttt -49.41 -46.6 47.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 75.33 109.253 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -37.15 81.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 73.51 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.839 ' CD1' HG11 ' A' 2044 ' ' VAL . 0.4 OUTLIER -62.27 -43.72 98.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 63.5 109.293 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 27.8 m -62.89 -47.04 85.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 73.11 110.368 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.0 OUTLIER -53.61 -51.5 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 64.33 110.215 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.3 -44.05 95.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.53 109.315 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.486 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 2.3 m95 -60.54 -30.74 69.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 124.481 1.113 . . . . 75.23 108.081 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.83 -51.0 60.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 74.11 109.319 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.751 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 8.0 mp -53.76 -53.35 53.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 65.01 109.397 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -54.04 -56.17 20.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.22 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.7 OUTLIER -48.17 -35.87 12.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 62.12 110.98 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2106 ' ' HIS . . . . . 0.472 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.0 OUTLIER -64.68 -44.66 89.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 63.35 109.59 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -78.07 -37.26 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 72.3 109.307 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.16 ' CG ' HD22 ' A' 2031 ' ' LEU . 11.0 m-85 -71.24 -34.61 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.085 . . . . 63.14 111.039 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -80.86 -28.35 36.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 74.53 110.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2110 ' ' ARG . . . . . 0.445 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -70.68 -50.79 32.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 62.41 110.33 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.585 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 9.2 pt -42.68 -32.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 64.23 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 15.7 p -87.85 -54.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 52.25 109.949 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 73.45 109.299 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.539 HD23 ' ND1' ' A' 2024 ' ' HIS . 3.2 tp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.231 -0.655 . . . . 74.11 109.231 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.59 ' CE3' ' SD ' ' A' 2058 ' ' MET . 5.4 m0 -73.81 -51.42 16.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 74.22 108.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2024 ' ' HIS . . . . . 0.539 ' ND1' HD23 ' A' 2022 ' ' LEU . 4.0 m80 -47.51 -22.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 75.23 109.693 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' 2029 ' ' GLU . 8.7 tp10 -72.95 -35.59 67.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 74.1 110.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -75.18 -32.05 61.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 52.01 111.046 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.745 ' HH2' HD11 ' A' 2078 ' ' LEU . 70.8 m95 -72.55 -49.8 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.016 -1.105 . . . . 74.4 108.016 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.08 -58.39 8.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 70.11 109.677 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.6 pp20? -68.29 -35.15 77.42 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.419 1.074 . . . . 74.21 110.416 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.81 -64.52 4.29 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.503 1.127 . . . . 44.13 111.13 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.127 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.9 tp -59.9 -32.6 70.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 71.33 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 12.5 mm-40 -53.29 -48.6 68.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.03 110.294 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -74.63 -50.18 18.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 73.45 110.19 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.609 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -51.46 -39.96 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 52.13 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' 2031 ' ' LEU . 3.2 t -76.99 -49.54 15.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 43.4 109.987 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -46.44 50.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 74.45 110.365 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' 2034 ' ' ALA . 4.4 pp -70.64 -46.11 63.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 63.33 109.245 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.531 ' HD1' HG12 ' A' 2044 ' ' VAL . 41.8 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 74.32 111.036 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.506 ' O ' ' CD1' ' A' 2037 ' ' LEU . 1.9 m-20 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.33 -0.618 . . . . 73.12 109.33 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2044 ' ' VAL . . . . . 1.089 HG11 HD21 ' A' 2097 ' ' LEU . 34.0 m -81.79 -12.85 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 63.15 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -33.85 64.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 72.24 109.246 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.793 ' O ' HG23 ' A' 2050 ' ' VAL . . . -70.44 -39.58 69.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.605 1.191 . . . . 73.34 111.048 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.609 ' HA ' ' HB1' ' A' 2034 ' ' ALA . 8.2 tmm? -64.88 -42.23 94.99 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.466 0.744 . . . . 74.11 111.016 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.609 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 11.9 m-85 -73.12 -38.32 66.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 71.34 111.039 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.539 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -76.38 -14.69 60.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.23 110.271 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.954 ' O ' HD22 ' A' 2054 ' ' LEU . 4.4 t -84.92 -42.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 73.34 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.589 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.7 -46.18 26.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 71.1 109.273 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.4 OUTLIER -35.3 -54.6 1.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 52.01 110.24 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.583 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.97 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.459 1.768 . . . . 64.21 110.962 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.11 -55.76 11.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 72.52 109.281 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 3.3 m-70 -60.07 -51.63 68.79 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.551 1.157 . . . . 64.44 109.669 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.92 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 71.21 109.401 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.51 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.28 -37.29 46.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 73.14 111.056 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.59 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -69.57 -31.34 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 53.31 110.978 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.29 -63.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 73.31 110.212 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' 2056 ' ' ALA . 17.4 ptp180 -72.17 -17.7 61.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 72.5 110.303 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.64 75.79 0.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 61.12 110.978 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.411 1.743 . . . . 71.15 110.963 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -146.33 -70.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 64.43 110.169 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.499 HG23 ' H ' ' A' 2066 ' ' LYS . 7.9 t -161.84 -171.81 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 63.2 110.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -65.63 -34.68 78.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 61.41 109.29 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2066 ' ' LYS . . . . . 0.499 ' H ' HG23 ' A' 2064 ' ' THR . 7.1 mttp -62.63 -32.65 73.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 71.51 109.254 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.94 -19.84 28.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.051 . . . . 63.21 110.316 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 4.3 m -64.18 -34.53 78.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 65.32 110.349 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.5 t -71.29 -33.55 69.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 65.34 109.991 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.544 ' HE2' HG22 ' A' 2111 ' ' ILE . 5.4 t80 -63.45 -54.14 41.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.15 111.05 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 2.4 t30 -62.43 -28.75 70.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 72.53 109.373 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.65 -43.71 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 60.03 110.251 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -54.28 -44.9 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 73.54 109.186 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.1 m-85 -98.97 -9.09 24.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 65.42 110.935 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -44.33 -47.57 8.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 44.13 111.067 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2076 ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -67.39 -27.38 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 63.51 110.363 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' 2074 ' ' TYR . 6.1 m-20 -80.77 -50.35 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 71.01 109.289 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.745 HD11 ' HH2' ' A' 2027 ' ' TRP . 9.3 mt -59.82 -41.54 91.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 72.43 109.33 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2079 ' ' MET . . . . . 0.518 ' CG ' ' N ' ' A' 2080 ' ' GLU . 11.6 ptm -69.08 -42.55 76.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 73.02 111.043 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' 2079 ' ' MET . 1.4 tt0 -67.05 -56.55 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 74.51 110.241 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -55.22 -41.83 72.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 63.52 109.211 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.63 -42.64 79.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 65.12 110.289 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.443 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.92 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.379 1.049 . . . . 72.12 110.301 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.21 -34.73 78.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 74.23 108.052 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.609 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.9 t -60.66 -55.78 29.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 74.45 108.325 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -32.16 65.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 75.23 110.18 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' 2091 ' ' SER . 9.3 mttt -61.41 -49.93 74.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 73.42 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.45 ' O ' ' HA2' ' A' 2092 ' ' GLY . 5.0 t80 -72.59 -31.89 65.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 61.41 110.918 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.461 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -67.3 -36.74 82.14 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.535 1.147 . . . . 75.33 110.925 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 -57.03 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.173 . . . . 54.12 109.341 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.1 t -63.23 -63.94 1.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 71.14 110.031 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 100.29 77.66 1.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 55.12 110.959 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.49 116.89 6.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.795 . . . . 62.22 109.33 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2094 ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' 2097 ' ' LEU . 3.0 t -54.97 -35.95 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 55.23 109.292 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -49.82 -51.6 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 73.33 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.24 109.225 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2097 ' ' LEU . . . . . 1.089 HD21 HG11 ' A' 2044 ' ' VAL . 2.5 tp -63.62 -46.85 83.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 73.33 109.262 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.0 m -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.12 110.422 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 73.12 110.392 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.441 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -61.62 -39.89 92.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 71.21 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.413 ' CE2' ' HG3' ' A' 2047 ' ' MET . 0.5 OUTLIER -68.42 -30.43 69.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.956 -1.127 . . . . 62.22 107.956 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.34 -50.38 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.34 109.27 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.706 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 13.7 mt -54.93 -51.67 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 64.04 109.359 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' 2100 ' ' ALA . 19.0 m-85 -53.57 -56.27 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 71.41 111.048 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.507 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.54 -37.14 25.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.25 110.995 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.04 79.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 74.52 109.558 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -72.3 -48.45 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 70.21 109.345 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.127 ' CG ' HD22 ' A' 2031 ' ' LEU . 14.5 m-85 -60.99 -29.8 69.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 74.41 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.5 tpt180 -77.14 -39.35 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.34 110.231 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -51.44 69.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 74.4 110.371 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.544 HG22 ' HE2' ' A' 2070 ' ' PHE . 14.5 pt -46.79 -27.84 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 65.03 109.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 2.0 p -93.93 -50.62 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 55.41 110.025 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2113 ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' 2113 ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 73.14 109.253 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.839 HD13 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.388 -0.597 . . . . 73.35 109.388 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.839 ' H ' HD13 ' A' 2022 ' ' LEU . 1.4 m0 -57.59 -48.35 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.951 -1.129 . . . . 73.32 107.951 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2024 ' ' HIS . . . . . 0.725 ' ND1' HD12 ' A' 2022 ' ' LEU . 11.8 m80 -47.76 -30.46 3.94 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.567 1.167 . . . . 64.52 109.652 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' 2029 ' ' GLU . 4.5 tp10 -69.67 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.134 . . . . 70.32 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.3 OUTLIER -70.97 -39.43 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 74.22 111.007 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.745 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.3 m95 -65.5 -50.98 63.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.55 107.912 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2028 ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -52.9 -54.06 40.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.3 109.571 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' 2028 ' ' HIS . 4.1 mm-40 -67.29 -43.54 81.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 72.02 110.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.476 ' HA3' ' CD2' ' A' 2054 ' ' LEU . . . -53.86 -65.23 3.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 75.03 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.119 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.3 tp -58.75 -30.61 67.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 0.793 . . . . 75.03 109.29 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -54.03 -50.92 65.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 72.21 110.396 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.05 -51.57 13.2 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.525 1.14 . . . . 64.43 110.263 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -52.06 -43.96 64.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.411 1.069 . . . . 42.35 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' 2031 ' ' LEU . 60.1 p -72.36 -51.26 21.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 72.34 110.068 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -50.01 53.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 75.22 110.326 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' 2038 ' ' TYR . 4.2 pp -67.91 -45.08 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 70.52 109.302 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.648 ' N ' HD12 ' A' 2037 ' ' LEU . 46.7 t80 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 74.23 110.981 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.435 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 11.5 m-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.629 . . . . 74.1 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.965 HG11 HD21 ' A' 2097 ' ' LEU . 30.8 m -81.95 -26.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 71.33 109.3 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.25 -39.35 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.02 109.26 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' 2050 ' ' VAL . . . -61.74 -52.09 53.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.427 1.079 . . . . 73.12 111.004 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.469 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 5.9 tmm? -52.6 -41.35 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 71.32 110.988 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.638 ' CE2' ' CE2' ' A' 2088 ' ' TYR . 31.5 m-85 -67.7 -38.09 83.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 70.44 111.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.517 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.2 mt-10 -75.16 -15.1 60.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.384 1.053 . . . . 71.53 110.369 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.54 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.6 t -84.07 -45.58 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.614 1.196 . . . . 60.02 109.368 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.645 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -75.92 -43.48 44.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 74.31 109.264 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.497 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 1.6 mt-10 -35.16 -57.03 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 74.02 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.54 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.93 -46.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.438 1.757 . . . . 73.41 111.022 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.518 ' HG ' ' CG ' ' A' 2026 ' ' MET . 0.2 OUTLIER -49.63 -56.12 11.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.561 1.163 . . . . 73.35 109.289 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.451 ' CD2' ' HB3' ' A' 2051 ' ' LEU . 9.1 m-70 -60.25 -52.54 64.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 73.51 109.556 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.56 -51.03 39.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 73.43 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.477 ' CE ' ' HG3' ' A' 2026 ' ' MET . 0.0 OUTLIER -51.71 -39.93 59.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 63.5 111.068 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.672 ' CE ' ' CD2' ' A' 2023 ' ' TRP . 0.4 OUTLIER -73.41 -25.87 60.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 70.35 110.966 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.7 mt-10 -77.85 -63.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.649 1.218 . . . . 74.5 110.364 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' 2056 ' ' ALA . 19.1 ptt180 -68.02 -27.14 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.13 110.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -131.77 91.09 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 51.04 111.002 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.496 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -75.04 -96.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.812 . . . . 73.14 110.925 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.455 ' NE2' ' CD1' ' A' 2023 ' ' TRP . 0.0 OUTLIER 177.39 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.459 1.099 . . . . 72.42 110.273 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' 2065 ' ' LEU . 2.1 t -163.49 177.4 8.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.15 110.457 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -58.7 -26.56 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.629 1.206 . . . . 73.14 109.33 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -67.99 -52.78 31.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 71.04 109.312 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -68.8 -23.76 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.345 1.028 . . . . 61.15 110.357 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 27.8 m -55.11 -26.95 41.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 73.22 110.449 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 33.9 t -74.05 -33.75 63.82 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.458 1.099 . . . . 65.1 109.916 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.419 ' CE2' ' CE3' ' A' 2023 ' ' TRP . 5.1 t80 -72.39 -53.52 12.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 75.11 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' 2075 ' ' GLY . 18.3 t-20 -54.84 -31.7 59.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.607 1.192 . . . . 74.35 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -41.28 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 54.55 110.381 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.45 89.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.11 109.24 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.509 ' CD2' ' HB ' ' A' 2107 ' ' VAL . 2.0 m-85 -91.38 -19.72 22.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 75.13 110.994 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' 2074 ' ' TYR . . . -34.82 -48.87 0.73 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 72.41 110.978 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -72.81 -43.61 62.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 64.34 110.355 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 2074 ' ' TYR . 11.9 m-20 -56.21 -65.61 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.5 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.745 HD11 ' HH2' ' A' 2027 ' ' TRP . 8.0 mt -52.54 -33.59 46.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.25 109.389 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2079 ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' 2075 ' ' GLY . 1.9 mtt -57.58 -47.32 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.42 111.001 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -66.49 -56.64 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 74.42 110.407 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -57.0 -41.69 78.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 75.21 109.304 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2082 ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -62.05 -35.02 77.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.311 1.007 . . . . 53.35 110.358 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.517 ' HA ' ' HD3' ' A' 2086 ' ' ARG . 0.0 OUTLIER -67.51 -37.47 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 65.41 110.276 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.405 ' HA ' ' HB3' ' A' 2087 ' ' LYS . 99.1 m95 -76.11 -21.0 57.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 72.11 107.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 3.3 t -70.68 -60.34 2.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 73.31 108.317 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.517 ' HD3' ' HA ' ' A' 2083 ' ' GLU . 2.6 ptt-85 -66.26 -27.36 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 70.44 110.343 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -69.32 -35.66 76.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.579 1.175 . . . . 73.43 109.32 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.638 ' CE2' ' CE2' ' A' 2048 ' ' PHE . 6.9 t80 -73.22 -46.3 51.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 63.5 111.013 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -33.93 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 73.22 111.01 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -49.56 7.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 72.4 109.297 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.2 t -78.79 -69.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 75.41 110.03 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.26 92.06 2.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 70.5 111.064 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.3 130.74 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 65.43 109.209 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -64.93 -50.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 75.02 109.365 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -49.3 -48.57 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 74.21 109.364 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -44.46 90.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 72.02 109.282 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.965 HD21 HG11 ' A' 2044 ' ' VAL . 3.0 tp -53.56 -49.99 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 74.42 109.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 55.0 m -59.68 -39.09 83.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 75.22 110.341 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.53 -47.81 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.14 110.289 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.26 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 50.2 109.306 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -31.32 66.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.571 1.169 . . . . 74.15 108.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -50.69 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 70.32 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.722 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 16.8 mt -55.7 -50.36 70.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 55.52 109.264 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' 2107 ' ' VAL . 9.4 m-85 -54.25 -55.28 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 55.3 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.13 -39.85 30.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 72.31 110.963 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -47.76 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 72.21 109.631 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' 2103 ' ' LEU . 0.6 OUTLIER -71.35 -48.51 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 63.43 109.293 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.119 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.0 m-85 -59.75 -31.06 69.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 73.15 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' 2105 ' ' TYR . 14.0 ttp180 -77.95 -35.01 50.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 73.11 110.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -52.11 63.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.416 1.072 . . . . 73.41 110.331 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.595 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 12.6 pt -44.61 -34.7 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 51.45 109.253 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2112 ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.6 OUTLIER -79.73 -53.41 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 52.11 109.939 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2113 ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' 2112 ' ' SER . 8.6 mptt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 71.13 109.375 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.573 HD13 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.304 -0.628 . . . . 72.1 109.304 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.573 ' H ' HD13 ' A' 2022 ' ' LEU . 5.7 m0 -51.98 -54.74 26.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.452 1.095 . . . . 72.21 108.1 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.8 m170 -47.35 -22.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 75.22 109.578 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' 2022 ' ' LEU . 6.4 tp10 -72.3 -38.67 68.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 63.11 110.331 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.542 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.92 -31.53 66.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.143 . . . . 74.54 111.053 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.769 ' HH2' HD11 ' A' 2078 ' ' LEU . 57.0 m95 -69.25 -50.54 46.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 75.44 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -56.36 -53.73 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 71.3 109.693 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.9 mm-40 -65.51 -38.56 90.05 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.51 1.131 . . . . 73.11 110.266 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -55.16 -65.32 3.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.375 1.047 . . . . 64.03 110.903 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.046 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.9 mt -58.12 -31.08 66.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 74.51 109.36 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.5 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.87 -50.54 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 71.25 110.292 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.5 ' N ' ' HG2' ' A' 2032 ' ' GLU . 2.7 tt0 -73.57 -45.79 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 74.34 110.326 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.803 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -55.4 -49.43 72.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 43.2 109.262 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 22.8 p -60.4 -43.81 96.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 72.55 109.922 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -55.96 -37.51 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.03 110.337 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.597 HD13 ' C ' ' A' 2046 ' ' GLY . 2.4 mt -71.61 -34.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.386 1.054 . . . . 63.33 109.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 84.0 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 73.11 111.012 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.526 ' ND2' ' CG ' ' A' 2045 ' ' LYS . 2.2 t30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.241 -0.652 . . . . 70.23 109.241 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.573 HG12 ' CD2' ' A' 2048 ' ' PHE . 6.4 t -68.15 -21.64 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 73.35 109.294 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.526 ' CG ' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -52.9 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 75.12 109.322 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.724 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.97 -54.69 27.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.409 1.068 . . . . 71.41 111.059 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.803 ' CG ' ' HB1' ' A' 2034 ' ' ALA . 12.5 tmm? -54.72 -49.05 71.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.426 0.721 . . . . 74.43 111.006 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.609 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.6 m-85 -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 74.33 110.949 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.8 mm-40 -76.24 -13.74 60.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 72.44 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' 2046 ' ' GLY . 24.2 t -83.28 -44.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.652 1.22 . . . . 54.13 109.358 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.656 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.83 -45.47 28.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 74.02 109.295 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.5 mm-40 -34.5 -54.63 0.92 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.595 1.184 . . . . 74.43 110.305 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.8 Cg_endo -75.1 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.587 1.835 . . . . 64.42 110.915 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.672 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.29 -55.76 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.331 1.019 . . . . 73.24 109.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 3.3 m-70 -59.85 -51.88 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 74.41 109.562 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.16 -49.62 63.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.512 1.133 . . . . 53.32 109.344 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.63 -37.63 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 63.33 110.974 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.534 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -68.15 -35.83 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 64.12 110.967 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.99 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 64.42 110.33 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.5 ptm85 -69.97 -22.04 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 71.55 110.335 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.93 80.67 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 72.14 111.042 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -161.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.579 1.831 . . . . 70.12 111.038 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.416 ' O ' ' HB ' ' A' 2064 ' ' THR . 2.8 mm-40 -142.58 -68.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.542 1.152 . . . . 72.43 110.38 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.589 HG23 ' HB2' ' A' 2066 ' ' LYS . 5.1 t -176.51 172.29 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 73.45 110.381 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.1 OUTLIER -47.77 -29.47 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 62.41 109.228 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2066 ' ' LYS . . . . . 0.589 ' HB2' HG23 ' A' 2064 ' ' THR . 1.3 mttp -67.05 -51.53 53.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 74.35 109.341 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.551 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 7.7 mm-40 -70.73 -25.05 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.54 110.281 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 18.1 m -54.53 -34.33 61.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 74.21 110.37 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -41.54 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 73.44 110.089 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.506 ' HE2' HG22 ' A' 2111 ' ' ILE . 9.2 t80 -61.94 -53.64 52.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 72.45 110.999 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 4.7 t30 -58.42 -30.65 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 71.03 109.32 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -79.56 -35.34 39.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 52.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -58.98 -27.97 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 73.4 109.25 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.783 ' HD1' HG22 ' A' 2107 ' ' VAL . 56.1 m-85 -114.33 -18.02 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 73.13 110.993 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.45 -43.57 0.54 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.401 1.063 . . . . 75.05 110.921 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -41.91 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 75.03 110.343 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.2 m-20 -57.92 -61.89 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 70.24 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.769 HD11 ' HH2' ' A' 2027 ' ' TRP . 29.6 mt -51.78 -35.84 45.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 64.12 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.41 81.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 63.04 111.033 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.498 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 39.7 tt0 -64.33 -60.05 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 70.41 110.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.527 ' HB1' ' CZ ' ' A' 2104 ' ' TYR . . . -52.37 -41.95 63.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 31.15 109.369 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2082 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.3 tt0 -59.02 -39.17 81.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 72.21 110.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.519 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.08 -35.71 82.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 75.5 110.182 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.82 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.1 m95 -74.88 -24.06 58.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.975 -1.12 . . . . 74.43 107.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.609 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -69.75 -58.93 3.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 74.22 108.349 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.5 OUTLIER -64.8 -27.78 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.41 110.307 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.452 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.57 -35.07 72.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 71.51 109.376 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2088 ' ' TYR . . . . . . . . . . . . . 16.0 t80 -74.82 -51.32 14.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 73.33 110.991 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.6 mtt -59.69 -34.29 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 73.55 110.941 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.456 ' O ' ' HD3' ' A' 2090 ' ' LYS . 0.0 OUTLIER -68.49 -59.02 3.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 71.12 109.233 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.76 70.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 63.13 110.057 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -118.6 -150.39 8.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.585 1.178 . . . . 52.04 110.955 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t30 -147.66 159.45 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.395 0.703 . . . . 63.32 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.93 -41.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 75.34 109.207 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -49.48 50.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 53.32 109.289 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -42.48 94.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 65.1 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' 2097 ' ' LEU . 0.3 OUTLIER -58.6 -45.05 89.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 62.12 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 22.6 m -59.5 -46.82 87.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 72.21 110.399 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 61.32 110.213 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.58 -41.57 77.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 64.33 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2101 ' ' TRP . . . . . 1.046 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -65.33 -33.99 77.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.879 -1.156 . . . . 71.12 107.879 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -50.34 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 64.25 109.253 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.1 mp -59.45 -49.19 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.51 109.282 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.527 ' CZ ' ' HB1' ' A' 2081 ' ' ALA . 11.3 m-85 -59.25 -50.22 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 65.12 110.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2105 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.52 -48.17 38.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 64.32 110.965 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.045 . . . . 75.2 109.567 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.783 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.8 t -62.51 -56.61 16.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 64.11 109.243 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.752 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 36.8 m-85 -65.33 -28.23 69.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 74.14 111.001 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2109 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -25.34 57.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.383 1.052 . . . . 72.43 110.282 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -51.46 10.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.3 110.319 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.578 HG23 ' OH ' ' A' 2074 ' ' TYR . 13.6 pt -44.71 -30.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 75.53 109.292 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 6.1 t -86.24 -54.58 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 53.32 109.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 61.05 109.246 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.542 HD12 ' H ' ' A' 2023 ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.31 -0.626 . . . . 73.11 109.31 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.542 ' H ' HD12 ' A' 2022 ' ' LEU . 4.9 m0 -69.89 -51.23 34.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 73.32 107.973 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.9 m80 -46.11 -23.21 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 74.13 109.613 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' 2029 ' ' GLU . 3.4 tt0 -70.41 -40.55 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 71.14 110.271 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.574 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.1 OUTLIER -69.36 -32.37 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 53.14 110.962 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.804 ' HH2' HD11 ' A' 2078 ' ' LEU . 61.2 m95 -68.2 -50.68 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.957 -1.127 . . . . 74.34 107.957 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2028 ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -60.94 -53.17 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 74.53 109.695 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' 2025 ' ' GLU . 4.0 mm-40 -58.79 -44.92 90.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.22 110.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -51.33 -63.78 4.36 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.462 1.101 . . . . 71.22 111.068 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.046 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.4 mt -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 0.702 . . . . 74.54 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -55.13 31.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 70.52 110.317 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.73 -46.42 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 72.12 110.353 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.672 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -52.51 -48.96 65.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 73.11 109.283 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 84.0 p -62.12 -41.75 98.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 73.31 110.031 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -35.24 69.74 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.43 1.081 . . . . 72.34 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.818 HD13 ' C ' ' A' 2046 ' ' GLY . 1.5 mt -70.69 -45.63 64.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 60.11 109.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.422 ' HD1' HG22 ' A' 2044 ' ' VAL . 48.7 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 74.21 111.078 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.266 -0.642 . . . . 74.45 109.266 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.794 HG12 ' CE2' ' A' 2048 ' ' PHE . 41.8 t -64.15 -21.46 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.498 1.123 . . . . 73.22 109.282 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.29 -41.19 60.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.37 1.044 . . . . 70.4 109.249 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.884 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.83 -54.49 28.06 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 34.43 111.078 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.619 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 10.6 tmm? -57.13 -51.82 67.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 73.14 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.794 ' CE2' HG12 ' A' 2044 ' ' VAL . 9.4 m-85 -51.42 -45.18 62.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 72.1 111.015 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 7.5 pt-20 -74.26 -15.09 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 62.05 110.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' 2046 ' ' GLY . 46.1 t -85.64 -44.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.327 1.017 . . . . 65.33 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -77.07 -42.54 37.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 73.31 109.276 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' 2048 ' ' PHE . 2.8 mt-10 -37.97 -55.15 2.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 73.43 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.1 Cg_endo -75.04 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.389 1.731 . . . . 64.24 110.981 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.741 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -47.77 -55.55 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.22 109.312 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.407 ' O ' ' HG3' ' A' 2059 ' ' GLU . 4.7 m-70 -60.43 -52.57 64.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 60.33 109.653 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.12 -51.29 58.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 24.14 109.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.528 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.14 -38.56 39.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 44.12 110.977 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.574 ' HE3' ' CE ' ' A' 2026 ' ' MET . 3.5 mmt -70.19 -30.5 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.387 1.054 . . . . 65.4 110.958 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.8 mt-10 -77.98 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 62.11 110.355 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' 2056 ' ' ALA . 9.7 ptm180 -72.57 -19.88 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 73.53 110.353 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.26 84.28 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 72.31 110.938 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.05 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.457 1.767 . . . . 65.11 110.968 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -68.41 0.33 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.566 1.166 . . . . 54.43 110.354 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' 2065 ' ' LEU . 1.4 t -175.21 174.18 2.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.451 1.095 . . . . 73.5 110.352 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.3 OUTLIER -57.49 -28.54 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 70.11 109.301 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 6.1 tptt -68.01 -35.61 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 65.22 109.335 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.6 -19.3 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 62.54 110.33 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 2.6 m -54.34 -36.29 63.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 65.11 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -37.03 86.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 72.41 110.084 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.577 ' HE2' HG21 ' A' 2111 ' ' ILE . 0.6 OUTLIER -71.18 -52.09 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.1 110.958 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.505 ' N ' ' CD1' ' A' 2070 ' ' PHE . 1.6 t-20 -54.08 -32.99 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 71.35 109.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -79.2 -42.31 26.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.11 110.222 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -49.08 -39.16 26.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 71.14 109.292 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.781 ' HD1' HG22 ' A' 2107 ' ' VAL . 54.5 m-85 -106.07 -18.02 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.52 110.977 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -36.7 -45.73 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 73.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -42.73 23.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 65.34 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.24 -60.91 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.23 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.804 HD11 ' HH2' ' A' 2027 ' ' TRP . 21.6 mt -51.88 -36.25 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 74.34 109.201 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -48.22 82.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 64.13 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.33 110.311 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.53 -41.91 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 62.14 109.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2082 ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.3 tp60 -55.55 -43.27 75.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 73.4 110.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -35.84 81.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.34 110.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.551 ' CZ3' ' NZ ' ' A' 2087 ' ' LYS . 91.4 m95 -64.7 -33.48 76.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.02 107.97 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 7.7 t -67.44 -56.62 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.43 108.236 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.14 -37.47 66.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 73.53 110.253 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.551 ' NZ ' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -63.85 -40.86 97.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.15 109.335 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.586 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.5 OUTLIER -73.66 -37.8 65.17 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.536 1.147 . . . . 60.2 111.023 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.672 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.3 mtt -65.0 -33.43 76.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 64.22 111.035 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.0 -42.92 10.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.664 1.227 . . . . 74.11 109.192 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 2.7 t -83.42 -69.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 64.12 110.011 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.17 89.56 2.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 53.0 111.038 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -159.4 120.07 3.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.41 109.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -50.76 -39.45 18.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 71.01 109.303 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -51.63 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 62.51 109.33 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -36.92 85.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 74.01 109.215 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.718 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -63.26 -48.56 77.65 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.5 1.125 . . . . 53.13 109.342 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 54.9 m -57.45 -41.39 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 73.33 110.439 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.65 -45.41 94.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 53.13 110.228 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.56 82.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 62.33 109.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.624 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.1 OUTLIER -62.94 -30.39 71.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 72.22 107.961 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -50.57 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 74.3 109.324 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.773 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 10.7 mt -57.07 -45.46 83.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 73.31 109.334 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.79 -46.77 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 73.32 111.043 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.489 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.51 -49.94 33.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 75.14 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -62.53 -43.55 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 71.43 109.665 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.781 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.6 t -62.83 -56.94 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.418 1.074 . . . . 53.12 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.046 ' CG ' HD11 ' A' 2031 ' ' LEU . 23.2 m-85 -64.09 -27.9 69.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 73.55 110.978 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' 2105 ' ' TYR . 14.9 ttm-85 -74.2 -25.73 59.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 73.35 110.353 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -52.01 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 62.35 110.272 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.728 HG23 ' OH ' ' A' 2074 ' ' TYR . 0.5 OUTLIER -56.48 -19.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 65.51 109.255 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -46.01 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 64.03 109.933 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 72.55 109.25 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.327 -0.62 . . . . 64.15 109.327 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.603 ' CD1' ' HE2' ' A' 2058 ' ' MET . 1.4 m0 -71.56 -51.82 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 75.42 107.916 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.4 m80 -47.01 -24.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 70.41 109.554 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' 2023 ' ' TRP . 31.5 tt0 -70.73 -35.39 72.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 74.22 110.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.532 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.1 -32.57 65.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 72.44 110.968 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.791 ' HH2' HD11 ' A' 2078 ' ' LEU . 62.6 m95 -69.03 -50.36 49.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.35 107.965 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -54.61 42.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 62.43 109.609 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.63 -43.95 87.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 70.22 110.323 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -55.31 -64.03 4.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 52.4 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.141 HD22 ' CG ' ' A' 2108 ' ' PHE . 5.3 tp -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 73.42 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.19 -53.36 54.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 72.22 110.292 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -51.0 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 52.15 110.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.823 ' HB2' HG11 ' A' 2050 ' ' VAL . . . -54.15 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 73.05 109.281 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' 2031 ' ' LEU . 85.1 p -57.78 -48.97 78.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 64.44 110.062 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -52.74 -37.53 59.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 65.42 110.24 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.484 HD13 ' HA3' ' A' 2046 ' ' GLY . 6.6 mt -71.57 -33.62 69.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 74.22 109.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.336 1.022 . . . . 73.12 110.952 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.302 -0.629 . . . . 65.15 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.7 t -45.6 -31.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 72.42 109.275 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.504 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -52.16 -36.74 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.621 1.201 . . . . 74.41 109.393 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -59.64 -53.83 42.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 70.32 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.906 ' O ' HD22 ' A' 2051 ' ' LEU . 7.2 tmm? -52.25 -47.66 65.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 0.73 . . . . 74.41 111.039 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.704 ' CD2' ' HE3' ' A' 2089 ' ' MET . 13.9 m-85 -63.8 -36.0 82.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 73.33 110.999 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.545 ' O ' ' CD ' ' A' 2053 ' ' PRO . 1.8 mm-40 -74.22 -15.13 61.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 70.15 110.231 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.823 HG11 ' HB2' ' A' 2034 ' ' ALA . 0.5 OUTLIER -83.82 -44.84 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 71.31 109.362 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' 2047 ' ' MET . 0.4 OUTLIER -77.15 -45.93 25.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 43.31 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.1 OUTLIER -34.31 -54.62 0.88 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 65.33 110.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.573 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.02 -51.52 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 63.5 111.035 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.532 HD22 ' SD ' ' A' 2026 ' ' MET . 70.1 mt -50.05 -56.53 10.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.509 1.131 . . . . 62.21 109.341 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' 2051 ' ' LEU . 28.9 m170 -58.29 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 74.32 109.584 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.79 -48.45 63.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.517 1.136 . . . . 54.14 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.504 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.7 -37.86 52.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 74.44 111.013 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.603 ' HE2' ' CD1' ' A' 2023 ' ' TRP . 0.3 OUTLIER -70.68 -35.33 72.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 64.11 110.956 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.4 mm-40 -69.02 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 74.54 110.366 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' 2062 ' ' PRO . 34.2 ptt180 -71.48 -34.54 70.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.36 1.038 . . . . 73.21 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.5 78.59 0.28 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 70.32 111.034 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.93 -94.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.783 . . . . 65.5 111.015 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.474 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.8 OUTLIER 176.09 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 70.12 110.32 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.441 HG23 ' H ' ' A' 2066 ' ' LYS . 3.0 t -176.65 176.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 72.32 110.361 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.422 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.2 OUTLIER -48.6 -26.22 2.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 73.2 109.293 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2066 ' ' LYS . . . . . 0.441 ' H ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -69.74 -52.36 26.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 62.14 109.353 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.474 ' HG3' ' CB ' ' A' 2063 ' ' GLN . 23.3 mm-40 -72.91 -19.83 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 62.33 110.269 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.8 m -54.09 -34.58 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 54.0 110.427 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -34.98 63.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.066 . . . . 74.45 109.957 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.642 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 4.4 t80 -66.6 -54.24 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 75.32 110.968 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 2075 ' ' GLY . 5.6 t-20 -56.86 -30.34 63.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 74.54 109.311 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.55 -35.54 63.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 63.22 110.304 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.75 77.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 72.43 109.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.642 ' CE2' ' CE1' ' A' 2070 ' ' PHE . 27.3 m-85 -93.75 -19.94 20.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 72.43 111.028 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.42 -40.92 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 40.41 110.983 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -80.92 -55.49 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.383 0.696 . . . . 74.3 110.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.33 -59.5 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 62.21 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.791 HD11 ' HH2' ' A' 2027 ' ' TRP . 10.2 mt -52.19 -37.14 53.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.03 109.346 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2079 ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -55.92 -48.01 76.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 71.34 111.012 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.52 -54.8 30.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 1.163 . . . . 71.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -58.25 -41.36 84.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 65.41 109.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -34.19 73.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.487 1.117 . . . . 75.52 110.294 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -70.67 -38.14 73.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.33 110.412 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.0 m95 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 75.33 107.957 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 17.2 m -75.06 -58.59 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 62.04 108.215 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.525 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 3.4 ptt85 -66.29 -27.47 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 73.33 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.56 -48.35 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 64.52 109.277 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.531 ' CZ ' HD22 ' A' 2097 ' ' LEU . 6.0 t80 -67.31 -34.59 77.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 61.24 111.018 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.704 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -69.73 -35.91 75.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 65.11 110.918 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -68.04 -58.16 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 71.44 109.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.22 67.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.41 109.97 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -114.76 -141.3 7.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.409 1.068 . . . . 64.22 111.035 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.13 162.92 36.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 65.43 109.236 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.46 -42.31 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 64.33 109.338 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2095 ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -49.76 -34.13 18.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 73.52 109.283 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2096 ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' 2095 ' ' LYS . 12.9 m-20 -75.93 -43.72 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 70.2 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' 2097 ' ' LEU . 2.5 tp -60.68 -44.21 96.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.14 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -64.41 -44.14 92.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 65.35 110.383 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -54.91 -44.39 74.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 75.22 110.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' 2104 ' ' TYR . . . -63.84 -43.39 96.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 72.21 109.309 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' A' 2031 ' ' LEU . 1.1 m95 -59.8 -31.62 69.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 61.41 107.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -51.06 48.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 72.3 109.338 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 17.4 mt -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.341 1.026 . . . . 63.14 109.305 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.639 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 3.3 m-85 -57.41 -56.19 25.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.19 . . . . 71.12 110.973 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.549 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.84 -37.01 18.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 73.21 110.923 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -55.54 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.43 1.081 . . . . 70.34 109.612 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' 2104 ' ' TYR . 1.5 m -66.78 -45.92 86.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 62.42 109.339 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.141 ' CG ' HD22 ' A' 2031 ' ' LEU . 11.2 m-85 -63.09 -30.31 71.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 75.12 111.015 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' 2105 ' ' TYR . 3.5 ttt180 -80.04 -29.04 39.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 74.41 110.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -70.75 -52.32 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 74.12 110.319 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 5.6 pt -44.09 -34.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 75.21 109.334 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.4 m -84.41 -54.56 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 71.34 110.012 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 73.14 109.215 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.801 HD13 ' H ' ' A' 2023 ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.425 -0.583 . . . . 63.51 109.425 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.801 ' H ' HD13 ' A' 2022 ' ' LEU . 9.7 m0 -50.15 -48.32 53.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.989 -1.115 . . . . 74.44 107.989 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2024 ' ' HIS . . . . . 0.628 ' NE2' ' CZ ' ' A' 2070 ' ' PHE . 7.4 m80 -48.35 -25.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 64.41 109.647 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' A' 2022 ' ' LEU . 55.6 tt0 -70.62 -33.32 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.053 . . . . 52.31 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.963 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 73.22 110.998 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.784 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.4 m95 -70.92 -51.6 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 73.05 108.063 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2028 ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.2 OUTLIER -58.79 -58.85 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 71.35 109.65 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.432 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 5.4 pt-20 -59.94 -29.79 68.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 75.31 110.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.45 -64.53 4.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 42.51 110.959 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.127 HD22 ' CH2' ' A' 2101 ' ' TRP . 71.6 mt -63.66 -31.9 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 0.721 . . . . 64.21 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 2.3 mm-40 -52.14 -51.55 57.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.383 1.052 . . . . 72.15 110.353 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.49 -49.16 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 73.34 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.558 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -51.98 -48.91 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.607 1.192 . . . . 55.33 109.367 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' 2031 ' ' LEU . 13.0 t -67.66 -41.71 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 71.21 109.992 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -52.42 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 72.13 110.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.54 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 4.2 pp -71.46 -39.82 70.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 74.43 109.242 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' 2037 ' ' LEU . 36.9 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 64.12 110.948 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.245 -0.65 . . . . 74.25 109.245 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.79 HG12 ' CE2' ' A' 2048 ' ' PHE . 48.7 t -66.94 -21.16 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 70.2 109.344 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -39.06 56.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.426 1.079 . . . . 60.13 109.247 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.863 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.4 -53.43 35.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 62.4 111.032 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.665 ' HE1' HG13 ' A' 2044 ' ' VAL . 27.5 ttp -61.35 -43.45 98.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 64.2 111.092 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.79 ' CE2' HG12 ' A' 2044 ' ' VAL . 8.1 m-85 -61.89 -42.1 98.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 74.45 110.988 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.57 ' O ' ' CD ' ' A' 2053 ' ' PRO . 12.1 pt-20 -75.87 -13.24 60.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 75.3 110.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' 2046 ' ' GLY . 20.4 t -83.1 -44.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.445 1.091 . . . . 74.15 109.318 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.86 -46.03 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 73.22 109.303 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.15 -55.48 0.81 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 70.34 110.297 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.57 ' CD ' ' O ' ' A' 2049 ' ' GLU . 17.7 Cg_endo -75.13 -50.58 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.543 1.812 . . . . 65.42 110.962 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.963 HD22 ' SD ' ' A' 2026 ' ' MET . 14.9 mt -49.19 -56.93 7.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 74.5 109.357 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' 2051 ' ' LEU . 5.4 m-70 -59.49 -52.16 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 60.44 109.623 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.15 -48.14 61.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 73.24 109.26 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 73.54 111.011 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.74 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.6 OUTLIER -68.61 -33.5 74.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 53.55 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.4 mm-40 -71.77 -63.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 74.31 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.2 ptt85 -72.81 -16.68 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 74.43 110.235 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' 2057 ' ' MET . . . -119.06 76.11 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.557 1.16 . . . . 44.24 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -74.95 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.467 1.772 . . . . 75.34 111.032 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.453 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 1.7 tt0 -147.56 -70.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 71.33 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' 2066 ' ' LYS . 4.1 t -172.66 170.85 4.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 53.32 110.433 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' 2065 ' ' LEU . 3.1 mm? -55.98 -27.65 53.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 74.04 109.331 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2066 ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' 2064 ' ' THR . 17.8 mmtt -68.18 -34.75 76.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 75.33 109.333 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.453 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 2.1 tp10 -84.59 -22.49 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 75.35 110.31 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.3 m -54.44 -45.04 72.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 72.01 110.413 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2069 ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' 2073 ' ' ALA . 0.6 OUTLIER -53.42 -34.8 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 52.44 109.984 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.628 ' CZ ' ' NE2' ' A' 2024 ' ' HIS . 0.9 OUTLIER -74.27 -53.29 10.03 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 74.35 110.98 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' 2075 ' ' GLY . 14.1 t30 -60.83 -32.89 72.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 60.24 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2072 ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' 2069 ' ' SER . 3.1 pt20 -79.93 -39.8 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.497 1.123 . . . . 74.41 110.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2073 ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -50.35 -28.41 7.92 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 1.121 . . . . 72.44 109.316 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.816 ' HD1' HG22 ' A' 2107 ' ' VAL . 52.3 m-85 -116.17 -22.99 8.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 63.35 111.043 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.43 -33.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.593 1.183 . . . . 61.54 111.123 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2076 ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.4 tpt180 -80.12 -51.25 9.23 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.527 0.781 . . . . 71.3 110.363 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.2 m-20 -57.64 -50.99 71.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 44.14 109.341 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.784 HD11 ' HH2' ' A' 2027 ' ' TRP . 36.1 mt -52.6 -33.75 47.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 75.53 109.418 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -48.58 63.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 64.21 111.007 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 10.8 tt0 -60.24 -57.93 10.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 64.34 110.317 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.06 -42.12 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 75.33 109.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -41.01 79.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.414 1.071 . . . . 52.42 110.287 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.535 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -63.13 -38.26 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 72.32 110.394 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.836 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 95.2 m95 -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 75.45 107.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 70.8 m -74.62 -59.54 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 61.31 108.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 7.5 ptt180 -62.83 -33.63 75.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 73.33 110.291 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -66.71 -42.22 86.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 61.11 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.63 ' CZ ' HD12 ' A' 2097 ' ' LEU . 0.8 OUTLIER -71.86 -39.44 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 65.15 111.025 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.656 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.5 mtt -60.52 -41.82 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.12 111.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -48.8 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.2 109.314 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 6.7 t -72.66 -70.8 0.33 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 53.33 109.972 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.78 92.85 2.23 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.574 1.171 . . . . 35.24 110.972 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -163.89 108.14 1.0 Allowed 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.551 0.795 . . . . 75.52 109.271 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.3 t -46.87 -39.38 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 51.2 109.329 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.7 tttp -49.11 -47.01 45.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 71.51 109.302 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.71 -32.1 72.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 70.1 109.357 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.743 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -69.55 -47.62 63.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 71.3 109.337 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.4 m -59.74 -39.23 84.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 73.01 110.39 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.73 -46.7 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 52.24 110.204 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.836 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -64.17 -43.03 96.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 73.41 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2101 ' ' TRP . . . . . 1.127 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -61.05 -34.95 75.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 61.15 108.017 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -47.7 78.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 54.45 109.396 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 3.9 mp -56.45 -53.61 55.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 73.34 109.255 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -57.32 -49.83 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 62.11 111.008 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.53 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -48.24 -48.83 34.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 73.43 110.987 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.41 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.31 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.816 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.8 t -64.26 -57.78 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 74.03 109.266 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.752 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 22.6 m-85 -64.17 -27.76 69.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.362 1.039 . . . . 73.34 111.017 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' 2105 ' ' TYR . 8.7 ttt180 -74.11 -32.04 63.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 70.14 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -51.71 24.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 73.54 110.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.557 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -45.36 -31.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.44 109.328 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 12.7 p -86.41 -52.01 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 75.11 109.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 71.43 109.321 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.443 HD13 ' H ' ' A' 2023 ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.311 -0.626 . . . . 75.15 109.311 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.544 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.9 m0 -62.99 -51.82 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.035 -1.098 . . . . 71.32 108.035 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2024 ' ' HIS . . . . . 0.418 ' ND1' HD12 ' A' 2022 ' ' LEU . 1.6 m80 -46.01 -22.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 72.04 109.489 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -69.81 -40.3 76.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 75.21 110.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.74 -33.55 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 73.41 111.023 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.813 ' HH2' HD11 ' A' 2078 ' ' LEU . 67.0 m95 -67.13 -49.18 65.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.91 -1.144 . . . . 74.25 107.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -64.21 -47.55 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 71.25 109.741 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' 2025 ' ' GLU . 2.0 tt0 -65.91 -38.75 89.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 71.33 110.351 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -56.65 -63.2 5.53 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 75.52 110.994 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2031 ' ' LEU . . . . . 0.988 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.2 mt -59.27 -32.32 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 0.716 . . . . 75.33 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' 2036 ' ' ARG . 2.1 mm-40 -53.5 -52.61 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 75.34 110.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -79.52 -49.7 11.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 51.13 110.284 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.801 ' HB2' HG11 ' A' 2050 ' ' VAL . . . -52.21 -49.96 62.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 64.13 109.208 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.3 p -68.28 -43.98 76.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 70.14 109.9 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2036 ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' 2032 ' ' GLU . 1.5 mtp85 -53.72 -52.08 61.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 63.23 110.289 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' 2047 ' ' MET . 4.3 pp -69.29 -40.8 77.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 71.11 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.436 ' N ' HD12 ' A' 2037 ' ' LEU . 61.8 t80 . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.113 . . . . 74.33 110.984 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.298 -0.631 . . . . 72.34 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.726 HG12 ' CE2' ' A' 2048 ' ' PHE . 37.5 t -54.29 -24.98 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 73.04 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.46 -43.21 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.44 109.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.43 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -53.44 -54.15 31.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.606 1.191 . . . . 42.34 111.023 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.976 ' O ' HD22 ' A' 2051 ' ' LEU . 8.6 tmm? -54.16 -47.61 71.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 0.719 . . . . 74.25 111.05 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.726 ' CE2' HG12 ' A' 2044 ' ' VAL . 10.1 m-85 -63.46 -34.4 77.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 75.22 111.05 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.3 mm-40 -75.77 -15.98 60.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 64.34 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.847 HG12 HD13 ' A' 2051 ' ' LEU . 0.6 OUTLIER -84.08 -42.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 71.03 109.397 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.976 HD22 ' O ' ' A' 2047 ' ' MET . 0.4 OUTLIER -77.18 -46.87 21.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.43 109.351 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -33.92 -54.43 0.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 71.53 110.336 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.583 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 73.32 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.819 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.52 -55.99 11.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 74.44 109.343 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 2.1 m-70 -57.56 -53.08 62.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 63.33 109.5 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -52.18 -50.47 61.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.423 1.077 . . . . 74.04 109.253 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.99 -36.2 37.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 73.24 111.052 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.544 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -71.1 -33.77 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 70.11 110.984 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' 2055 ' ' HIS . 6.0 mm-40 -72.84 -63.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 73.22 110.221 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -72.66 -24.34 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 75.22 110.297 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.29 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 64.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 62.01 110.963 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.04 -70.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 75.33 110.237 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.2 t -170.51 174.31 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 62.1 110.504 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -28.97 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 73.12 109.311 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -69.69 -34.79 74.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 54.05 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.15 -18.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 1.055 . . . . 63.13 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 30.3 m -54.59 -33.26 60.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 62.34 110.338 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -35.93 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.43 109.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.606 ' HE2' HG22 ' A' 2111 ' ' ILE . 18.1 t80 -63.81 -52.98 57.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.52 111.01 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 7.9 t30 -64.24 -28.79 69.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 63.13 109.402 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -77.41 -54.6 6.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.41 110.312 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.2 -52.81 4.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.24 109.379 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.6 m-85 -90.68 -14.99 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.593 1.183 . . . . 74.15 110.999 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.38 -44.33 2.26 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.526 1.141 . . . . 43.12 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -49.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.62 0.835 . . . . 52.23 110.341 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.54 -55.68 17.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 43.43 109.324 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.813 HD11 ' HH2' ' A' 2027 ' ' TRP . 13.8 mt -52.71 -37.82 59.73 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 75.53 109.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -46.61 89.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.15 110.917 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.505 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 21.5 tt0 -62.28 -54.28 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.42 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.46 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.93 -40.65 66.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 64.1 109.352 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2082 ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.8 OUTLIER -60.55 -39.49 88.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 64.12 110.256 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.504 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 74.53 110.226 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.45 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.4 m95 -75.58 -23.92 56.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 71.22 107.992 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.434 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 42.7 t -66.64 -58.54 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 75.54 108.225 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.504 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.1 OUTLIER -62.52 -28.98 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.01 110.278 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.494 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -60.62 -50.5 73.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 75.34 109.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.486 ' O ' ' N ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -70.91 -46.77 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.3 110.964 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.412 ' N ' ' CD1' ' A' 2088 ' ' TYR . 3.0 mtt -56.9 -32.29 65.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 62.12 111.008 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.9 tptm -92.01 -56.83 2.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 74.31 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' 2087 ' ' LYS . 4.7 t -70.2 -64.42 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 65.2 109.96 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.31 81.4 1.53 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.48 1.113 . . . . 74.21 111.094 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.37 120.35 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 74.01 109.325 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -56.82 -29.78 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 72.24 109.417 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.47 -49.04 78.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 63.4 109.305 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -39.85 80.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 53.23 109.338 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' 2097 ' ' LEU . 0.2 OUTLIER -63.27 -48.39 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 65.44 109.37 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -58.25 -41.73 84.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 73.24 110.327 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' 2103 ' ' LEU . 0.0 OUTLIER -58.51 -50.66 72.95 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 65.4 110.2 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.29 -47.59 78.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 73.44 109.376 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.653 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 64.44 108.057 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -51.11 71.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 73.24 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' 2107 ' ' VAL . 6.5 mp -54.14 -54.21 42.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 65.34 109.357 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.429 ' O ' HG22 ' A' 2107 ' ' VAL . 14.8 m-85 -54.03 -55.68 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 73.12 111.094 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.97 -36.49 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 72.43 111.027 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2106 ' ' HIS . . . . . 0.5 ' O ' ' HG2' ' A' 2109 ' ' ARG . 47.9 t-80 -63.47 -45.59 90.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 71.13 109.635 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -77.21 -35.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 73.33 109.31 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.988 ' CG ' HD11 ' A' 2031 ' ' LEU . 10.1 m-85 -72.1 -31.7 66.29 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.536 1.148 . . . . 73.32 111.001 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' 2106 ' ' HIS . 6.9 ptp180 -79.43 -31.17 42.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.585 1.178 . . . . 64.13 110.273 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2110 ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' 2109 ' ' ARG . 24.7 tpt180 -70.29 -50.41 39.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 71.54 110.246 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.606 HG22 ' HE2' ' A' 2070 ' ' PHE . 11.8 pt -43.24 -30.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 72.11 109.261 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 22.7 t -91.98 -56.81 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 71.23 109.978 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.2 tptp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 60.41 109.279 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.309 -0.626 . . . . 72.5 109.309 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.563 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.6 m0 -70.28 -50.83 35.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.979 -1.119 . . . . 60.01 107.979 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.18 -22.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.25 109.555 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.4 OUTLIER -70.11 -36.37 74.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 74.2 110.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.511 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -75.73 -32.92 60.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 72.34 110.978 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.847 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.8 m95 -68.01 -44.01 77.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 70.32 108.019 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -65.07 -59.3 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 71.4 109.616 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.5 OUTLIER -61.02 -35.95 78.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.22 110.258 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' 2026 ' ' MET . . . -55.44 -62.64 6.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 51.22 110.993 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2031 ' ' LEU . . . . . 0.977 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.9 mt -58.72 -30.95 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 71.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.01 -49.24 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 53.45 110.29 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.716 ' O ' HD12 ' A' 2037 ' ' LEU . 1.1 tt0 -79.1 -45.0 20.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 63.34 110.237 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.741 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -58.14 -47.09 84.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 55.22 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.5 p -65.94 -39.94 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 75.5 109.982 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -56.87 -41.69 78.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 64.5 110.195 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' 2033 ' ' GLU . 1.1 mt -71.73 -35.01 70.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 75.23 109.26 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 89.9 t80 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.627 1.204 . . . . 72.23 110.993 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.36 -0.607 . . . . 64.42 109.36 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.648 HG12 ' CE2' ' A' 2048 ' ' PHE . 38.2 t -57.14 -21.7 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 73.25 109.332 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -40.24 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 72.12 109.343 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.673 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.81 -56.03 22.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.465 1.103 . . . . 53.32 111.048 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.741 ' CG ' ' HB1' ' A' 2034 ' ' ALA . 8.8 tmm? -55.99 -43.16 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 0.803 . . . . 74.51 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.648 ' CE2' HG12 ' A' 2044 ' ' VAL . 7.2 m-85 -62.78 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 73.32 111.072 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.576 ' O ' ' CD ' ' A' 2053 ' ' PRO . 15.8 mt-10 -75.74 -13.43 60.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 65.53 110.291 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' 2046 ' ' GLY . 25.6 t -82.55 -46.85 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 63.04 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.652 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.82 -44.76 31.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 74.33 109.193 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.3 OUTLIER -34.08 -56.15 0.75 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 73.12 110.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.576 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.99 -52.02 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.53 1.805 . . . . 75.11 110.974 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.12 -57.37 6.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.167 . . . . 75.14 109.386 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -60.05 -52.66 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 63.44 109.627 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' 2052 ' ' GLU . . . -49.43 -50.72 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 71.02 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.79 -38.76 56.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 64.42 111.001 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.563 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.0 OUTLIER -66.52 -37.22 84.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 63.25 110.901 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.2 mm-40 -69.85 -64.02 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 64.21 110.244 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.7 OUTLIER -65.49 -35.0 79.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.41 110.334 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' 2057 ' ' MET . . . -124.08 81.1 0.35 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.572 1.17 . . . . 63.12 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.451 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.2 Cg_endo -74.99 -93.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 73.53 110.969 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.443 ' CB ' ' HB2' ' A' 2067 ' ' GLU . 0.2 OUTLIER 176.77 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 71.24 110.412 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.684 HG23 ' H ' ' A' 2066 ' ' LYS . 6.1 t -167.17 -171.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 62.14 110.315 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.465 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.0 OUTLIER -61.1 -26.92 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 64.44 109.298 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2066 ' ' LYS . . . . . 0.684 ' H ' HG23 ' A' 2064 ' ' THR . 13.0 tttt -68.98 -49.61 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 71.55 109.292 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' 2063 ' ' GLN . 2.4 mm-40 -75.43 -20.04 59.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.44 110.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.2 m -53.51 -27.34 25.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.01 110.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -40.58 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 63.42 110.063 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.581 ' HE2' HG22 ' A' 2111 ' ' ILE . 27.6 t80 -63.49 -51.25 66.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 54.13 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 34.8 t30 -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.516 1.135 . . . . 63.44 109.231 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -78.18 -52.89 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 51.41 110.332 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.63 5.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.478 1.111 . . . . 73.24 109.366 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.579 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.1 m-85 -95.09 -15.07 23.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.371 1.044 . . . . 74.12 111.112 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.51 -40.86 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.569 1.168 . . . . 64.34 111.02 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -51.75 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 74.12 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.99 -56.9 10.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 73.2 109.337 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.847 HD11 ' HH2' ' A' 2027 ' ' TRP . 15.1 mt -52.4 -40.19 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.4 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 13.5 ttm -56.22 -46.46 79.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.127 . . . . 63.1 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 12.6 tt0 -62.71 -56.06 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.362 1.039 . . . . 70.52 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.646 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -52.93 -42.37 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 74.34 109.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.51 -42.48 82.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 63.15 110.178 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 62.33 110.208 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.794 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.3 m95 -68.53 -33.52 74.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.991 -1.115 . . . . 74.24 107.991 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 67.6 m -65.08 -55.55 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 74.33 108.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -54.67 -36.88 65.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 72.41 110.359 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.62 99.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 75.12 109.286 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 74.7 t80 -70.51 -48.06 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 61.24 110.966 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.422 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -57.91 -36.4 72.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 54.45 110.917 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -58.81 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 54.42 109.334 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.66 57.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 64.31 109.967 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -97.64 -151.28 27.39 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.557 1.161 . . . . 73.4 111.094 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.02 168.64 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 75.41 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -40.44 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 72.51 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.86 -48.63 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 65.54 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -41.23 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.22 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 8.0 tp -56.83 -42.98 80.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 74.41 109.281 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.3 m -64.79 -45.37 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 62.32 110.472 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.536 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -51.28 -52.75 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 64.25 110.259 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.794 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.7 -48.63 79.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 70.41 109.346 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.602 ' CZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -57.77 -41.68 82.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.34 108.015 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -51.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.075 . . . . 74.25 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.596 ' O ' HG13 ' A' 2107 ' ' VAL . 5.3 mp -56.84 -52.9 63.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.42 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.646 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 3.5 m-30 -54.23 -56.05 22.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 75.14 111.01 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.91 -38.14 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.52 110.974 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2106 ' ' HIS . . . . . 0.465 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.8 m170 -61.66 -45.84 92.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 74.4 109.662 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -75.86 -35.15 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 74.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.977 ' CG ' HD11 ' A' 2031 ' ' LEU . 8.9 m-85 -73.04 -31.88 64.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 74.45 111.012 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -79.78 -25.63 40.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 73.43 110.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2110 ' ' ARG . . . . . 0.496 ' N ' ' HG3' ' A' 2109 ' ' ARG . 2.1 mmm180 -75.44 -50.25 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 72.32 110.306 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.581 HG22 ' HE2' ' A' 2070 ' ' PHE . 7.9 pt -42.09 -37.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 61.55 109.276 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 66.4 p -81.85 -45.86 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 63.03 109.961 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 71.54 109.244 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.764 HD22 ' H ' ' A' 2025 ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.328 -0.619 . . . . 74.32 109.328 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.727 ' HB3' ' HE1' ' A' 2058 ' ' MET . 17.0 m0 -81.15 -39.72 25.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.955 -1.128 . . . . 62.3 107.955 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2024 ' ' HIS . . . . . 0.594 ' HB2' HD23 ' A' 2022 ' ' LEU . 3.3 m80 -44.57 -23.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 75.11 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.764 ' H ' HD22 ' A' 2022 ' ' LEU . 0.9 OUTLIER -68.07 -40.93 82.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 70.55 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.927 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -71.64 -31.28 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 71.42 110.998 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.758 ' HH2' HD11 ' A' 2078 ' ' LEU . 78.2 m95 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 74.11 107.998 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -59.06 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 72.44 109.625 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' 2030 ' ' GLY . 4.8 pt-20 -63.64 -40.43 96.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 74.3 110.303 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.5 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -56.12 -63.61 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 72.23 110.956 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.122 HD22 ' CG ' ' A' 2108 ' ' PHE . 5.1 tp -57.7 -32.16 67.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.545 0.791 . . . . 72.55 109.243 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.72 -53.26 57.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 71.03 110.279 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.73 48.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 64.03 110.343 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.81 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.06 -49.27 69.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.143 . . . . 42.02 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.446 ' HG ' ' HH2' ' A' 2101 ' ' TRP . 7.6 m -56.56 -45.97 80.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 64.45 109.864 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -34.29 72.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 60.22 110.317 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' 2034 ' ' ALA . 3.0 mt -70.33 -34.04 72.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.591 1.182 . . . . 71.41 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 65.13 110.978 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 109.328 -0.619 . . . . 74.43 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.724 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 4.3 t -65.71 -10.55 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 64.32 109.402 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.47 -40.24 67.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 61.25 109.277 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.833 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.55 -56.56 24.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.445 1.091 . . . . 65.41 110.977 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.85 -46.93 81.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 72.04 110.948 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.724 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.7 m-85 -68.19 -37.1 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 71.41 110.997 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 5.5 mm-40 -75.45 -13.68 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 75.12 110.285 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' 2046 ' ' GLY . 21.6 t -84.56 -44.06 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 74.32 109.244 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -46.38 26.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 73.1 109.332 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.2 mt-10 -34.93 -55.45 0.95 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.4 110.32 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.569 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.98 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.481 1.779 . . . . 74.21 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.927 HD22 ' SD ' ' A' 2026 ' ' MET . 16.8 mt -48.39 -56.7 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 61.43 109.247 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.464 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 1.9 m-70 -59.18 -52.31 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.21 109.565 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.27 -47.21 62.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 62.51 109.27 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.517 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.7 -38.72 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 65.43 111.057 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.768 ' HE3' ' HG2' ' A' 2026 ' ' MET . 0.4 OUTLIER -70.41 -33.08 70.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.19 . . . . 64.22 110.996 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.1 mm-40 -71.67 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 75.42 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -22.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 72.13 110.349 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.33 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 73.44 111.039 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 62.43 111.133 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' 2064 ' ' THR . 1.3 tp60 -145.71 -72.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 74.2 110.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.49 HG23 ' O ' ' A' 2063 ' ' GLN . 21.0 p -156.08 161.06 40.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 63.2 110.384 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -27.32 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.626 1.204 . . . . 61.11 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -50.95 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.156 . . . . 70.32 109.265 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.53 -23.53 63.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 64.14 110.239 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.7 m -55.35 -41.58 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 1.208 . . . . 73.1 110.351 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.4 m -64.74 -50.59 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 72.21 110.063 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' 2070 ' ' PHE . 0.5 OUTLIER -58.8 -43.32 90.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 71.15 110.975 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2075 ' ' GLY . 41.7 t30 -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.11 109.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -78.1 -54.94 5.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 74.41 110.291 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.36 -33.17 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 73.43 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.823 ' CD2' HG13 ' A' 2107 ' ' VAL . 2.5 m-30 -96.48 -24.22 16.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 70.44 110.979 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.34 -42.99 5.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 51.24 110.925 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -45.92 59.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 0.766 . . . . 73.11 110.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.54 -51.1 68.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 74.31 109.363 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.758 HD11 ' HH2' ' A' 2027 ' ' TRP . 24.5 mt -57.54 -33.45 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 61.35 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 mtp -67.48 -44.73 77.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.545 1.153 . . . . 73.41 111.0 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.499 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 17.9 tt0 -60.16 -58.55 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 72.13 110.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.579 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -53.59 -41.1 66.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 61.11 109.313 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -57.8 -39.65 78.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 73.23 110.331 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.535 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -66.13 -36.57 83.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 55.5 110.331 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.735 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.8 m95 -73.09 -23.76 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 71.41 107.944 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.8 t -72.03 -58.56 3.34 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.57 1.169 . . . . 74.34 108.209 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 2.2 ptm180 -67.08 -27.83 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 72.51 110.275 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -71.81 -37.17 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 73.21 109.239 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.516 ' CE2' HD22 ' A' 2097 ' ' LEU . 10.1 t80 -79.41 -45.0 20.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 74.14 110.98 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.0 mtt -61.59 -38.2 86.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 74.11 111.034 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.466 ' HD2' ' O ' ' A' 2090 ' ' LYS . 11.5 tptm -64.92 -58.99 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 71.23 109.235 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.22 78.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.138 . . . . 71.03 109.965 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -133.06 -141.8 4.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 62.11 110.999 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -149.23 157.95 43.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 45.01 109.307 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -35.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 62.4 109.204 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -49.01 -48.1 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 62.54 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -67.02 -39.01 86.96 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.435 1.084 . . . . 65.21 109.343 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' 2097 ' ' LEU . 4.2 tp -62.73 -46.66 87.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 72.34 109.226 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.4 m -59.32 -42.66 91.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 61.1 110.424 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.404 ' O ' HD12 ' A' 2103 ' ' LEU . 1.5 tt0 -57.1 -49.91 74.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 74.4 110.272 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.735 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.26 -43.52 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 72.21 109.37 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.57 ' CH2' HD11 ' A' 2031 ' ' LEU . 1.0 OUTLIER -62.77 -33.06 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.23 107.998 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -50.61 70.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.603 1.189 . . . . 43.44 109.26 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.4 mp -54.87 -53.11 59.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 73.43 109.369 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 18.1 m-85 -57.15 -46.77 82.45 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.433 1.083 . . . . 73.03 110.936 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.43 -48.37 47.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 75.33 111.04 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2106 ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' 2110 ' ' ARG . 37.3 m170 -62.64 -37.88 88.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 72.45 109.595 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' 2074 ' ' TYR . 2.1 t -69.59 -56.65 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 35.45 109.211 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.122 ' CG ' HD22 ' A' 2031 ' ' LEU . 30.9 m-85 -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.42 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' 2105 ' ' TYR . 7.6 ttt180 -76.49 -30.62 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 74.42 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2110 ' ' ARG . . . . . 0.428 ' CB ' ' OH ' ' A' 2074 ' ' TYR . 10.2 mmt-85 -72.59 -51.43 19.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 72.24 110.341 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.512 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 15.5 pt -42.92 -31.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 75.21 109.277 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.1 m -85.3 -53.96 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 53.22 109.998 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 61.51 109.358 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' 2022 ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.299 -0.63 . . . . 62.31 109.299 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.511 ' O ' ' N ' ' A' 2026 ' ' MET . 8.7 m0 -66.53 -51.44 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 73.3 107.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.7 m170 -46.45 -25.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 63.34 109.551 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.3 tm-20 -69.42 -32.53 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 63.51 110.378 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.862 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -76.02 -31.51 58.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 73.53 111.028 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.683 ' CH2' HD21 ' A' 2078 ' ' LEU . 61.6 m95 -69.98 -50.52 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 72.3 108.028 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -59.17 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 65.24 109.615 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -33.79 76.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 71.33 110.257 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.47 -64.18 4.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.133 . . . . 70.31 111.01 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.122 HD22 ' CG ' ' A' 2108 ' ' PHE . 1.8 tp -61.55 -32.4 72.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 62.44 109.343 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.12 -48.35 73.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 62.04 110.258 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.11 -49.15 25.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.401 1.063 . . . . 71.12 110.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -56.64 -37.24 70.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 62.44 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' 2031 ' ' LEU . 17.6 t -75.91 -52.94 9.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.168 . . . . 71.54 110.01 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.2 -44.3 53.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 74.45 110.216 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.995 HD12 ' N ' ' A' 2038 ' ' TYR . 3.3 pp -70.43 -48.08 57.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 71.24 109.317 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.995 ' N ' HD12 ' A' 2037 ' ' LEU . 42.9 t80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 71.14 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.491 ' O ' HD13 ' A' 2037 ' ' LEU . 1.9 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.255 -0.646 . . . . 71.0 109.255 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.755 HG12 ' CE2' ' A' 2048 ' ' PHE . 48.7 t -73.88 -26.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 62.33 109.407 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.422 ' HE2' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.87 -36.26 37.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.091 . . . . 54.12 109.385 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.601 ' O ' HG23 ' A' 2050 ' ' VAL . . . -62.11 -53.24 44.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.54 1.15 . . . . 75.3 110.963 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.653 ' CE ' HG13 ' A' 2044 ' ' VAL . 8.4 tmm? -52.58 -43.32 65.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 0.814 . . . . 44.05 110.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.755 ' CE2' HG12 ' A' 2044 ' ' VAL . 14.2 m-85 -68.03 -37.66 81.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 62.31 110.989 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 28.2 mt-10 -75.89 -13.73 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 71.01 110.203 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' 2046 ' ' GLY . 24.4 t -84.82 -44.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.107 . . . . 71.32 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.2 -45.43 33.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 75.12 109.363 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.8 -55.99 1.16 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 73.24 110.31 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.557 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -74.96 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 61.22 111.041 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.862 HD22 ' SD ' ' A' 2026 ' ' MET . 20.9 mt -49.41 -55.31 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 71.44 109.254 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.846 ' CE1' HD23 ' A' 2078 ' ' LEU . 3.3 m170 -58.43 -53.37 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 71.21 109.661 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.29 -50.19 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 53.53 109.232 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.11 -39.52 43.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 74.33 110.971 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.761 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.0 OUTLIER -69.14 -31.7 70.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.502 1.126 . . . . 74.45 110.85 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.1 mm-40 -76.43 -63.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 62.54 110.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' 2056 ' ' ALA . 30.8 ptt180 -71.52 -18.19 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.12 110.359 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.38 77.25 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.558 1.161 . . . . 53.13 110.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.6 1.842 . . . . 63.42 110.94 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' 2064 ' ' THR . 4.7 tp60 -148.94 -76.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 72.35 110.363 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.554 HG23 ' O ' ' A' 2063 ' ' GLN . 23.8 p -158.61 177.43 11.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.157 . . . . 55.32 110.362 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -64.35 -27.23 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 53.14 109.412 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 18.0 mttt -67.33 -39.71 85.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 60.54 109.266 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -77.24 -26.04 52.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.22 110.248 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.9 m -54.79 -28.51 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 54.35 110.453 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -37.56 63.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 71.34 110.037 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.51 ' HE1' HG22 ' A' 2111 ' ' ILE . 62.6 t80 -63.42 -51.63 64.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 70.54 110.985 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' 2075 ' ' GLY . 22.5 t-20 -63.74 -29.92 71.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 74.11 109.377 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.27 -45.93 21.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 72.34 110.34 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.98 -46.22 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 35.15 109.323 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.71 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 39.1 m-85 -99.49 -17.75 17.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 74.33 110.956 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -39.13 -28.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 71.51 110.995 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2076 ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' 2074 ' ' TYR . 19.0 tpt180 -79.02 -46.79 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 65.22 110.345 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.555 ' HB2' HG11 ' A' 2107 ' ' VAL . 6.7 m-20 -61.37 -57.05 13.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 64.15 109.364 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.846 HD23 ' CE1' ' A' 2055 ' ' HIS . 8.0 mp -51.37 -46.0 62.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 62.32 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.1 ttm -50.49 -49.38 55.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 74.13 110.971 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.487 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.4 tt0 -71.1 -48.3 53.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 73.12 110.26 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.47 -44.36 68.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 72.24 109.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.63 -38.49 90.46 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.482 1.114 . . . . 71.12 110.312 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.524 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -60.69 -37.29 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 63.13 110.271 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.731 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.7 m95 -75.84 -25.78 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.933 -1.136 . . . . 74.13 107.933 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 71.6 m -69.48 -59.0 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 60.31 108.25 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.524 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 1.1 ptm180 -65.05 -28.63 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 73.11 110.234 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.468 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.66 -33.6 71.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.599 1.187 . . . . 64.41 109.332 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.424 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 9.9 t80 -77.16 -45.2 27.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 73.23 111.026 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.586 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -60.31 -40.44 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 53.53 111.055 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -57.53 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 73.35 109.265 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.16 77.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 52.02 109.995 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -124.64 -148.86 7.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.383 1.052 . . . . 64.3 110.939 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -141.96 -178.06 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 72.35 109.326 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -40.81 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 53.02 109.322 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 -48.42 49.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 75.44 109.329 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -42.8 88.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 72.31 109.319 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' 2097 ' ' LEU . 1.6 tp -59.07 -46.9 87.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 41.22 109.287 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -58.75 -42.16 88.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 74.54 110.471 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.452 ' O ' HD12 ' A' 2103 ' ' LEU . 0.8 OUTLIER -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 54.34 110.366 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.731 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.74 -49.4 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 71.14 109.246 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.503 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 0.2 OUTLIER -56.67 -31.2 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 74.12 107.935 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -48.99 68.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.627 1.205 . . . . 62.43 109.38 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.5 mp -53.45 -52.75 58.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 74.31 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.522 ' O ' HG22 ' A' 2107 ' ' VAL . 11.0 m-85 -56.84 -57.35 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.11 111.005 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.3 t80 -49.67 -27.94 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 73.25 111.053 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -70.71 -55.67 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 72.23 109.559 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.71 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.5 m -64.13 -43.79 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 72.41 109.261 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.122 ' CG ' HD22 ' A' 2031 ' ' LEU . 17.8 m-85 -66.63 -29.61 69.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 74.32 110.947 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' 2105 ' ' TYR . 22.3 ttt85 -77.84 -28.16 50.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 73.11 110.287 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -75.15 -51.52 13.21 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.422 1.077 . . . . 51.34 110.337 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.572 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.0 pt -45.24 -35.08 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.552 1.157 . . . . 75.33 109.352 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.38 -47.09 20.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 74.01 110.02 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2113 ' ' LYS . . . . . 0.487 ' NZ ' ' NH1' ' A' 2109 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.33 109.245 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.587 HD12 ' ND1' ' A' 2024 ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.18 -0.674 . . . . 75.41 109.18 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.614 ' CZ2' ' NE2' ' A' 2063 ' ' GLN . 10.2 m0 -69.36 -52.49 26.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 71.2 108.067 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2024 ' ' HIS . . . . . 0.587 ' ND1' HD12 ' A' 2022 ' ' LEU . 4.3 m80 -46.75 -24.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 71.32 109.635 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' 2023 ' ' TRP . 8.0 tp10 -69.03 -36.34 77.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 73.45 110.331 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.987 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.96 -31.1 62.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 74.13 110.948 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.869 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.0 m95 -68.67 -51.47 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 53.34 108.051 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -58.02 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 70.11 109.691 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.6 OUTLIER -63.04 -37.38 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 73.44 110.209 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -57.8 -64.96 3.89 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.634 1.209 . . . . 35.24 110.996 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2031 ' ' LEU . . . . . 0.999 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.0 mt -58.87 -30.44 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 0.814 . . . . 74.12 109.316 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.95 -53.74 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 74.22 110.293 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.388 1.055 . . . . 53.31 110.305 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 54.42 109.302 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 51.9 p -60.62 -42.87 97.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.17 . . . . 73.03 109.912 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -32.87 71.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.12 110.254 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' 2034 ' ' ALA . 2.7 mt -70.53 -42.38 71.28 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.512 1.132 . . . . 65.34 109.291 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 75.11 110.934 -179.95 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.239 -0.652 . . . . 71.14 109.239 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.759 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 3.5 t -65.62 -11.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 45.54 109.217 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.29 -38.85 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 71.11 109.287 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.823 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.17 -56.13 22.87 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.373 1.046 . . . . 74.21 111.032 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.525 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 0.2 OUTLIER -60.62 -48.87 79.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 74.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.759 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.8 m-30 -60.59 -43.66 97.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 61.15 111.017 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.555 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.3 pt-20 -72.32 -13.4 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 73.34 110.36 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' 2046 ' ' GLY . 6.8 t -84.9 -45.19 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.371 1.045 . . . . 70.04 109.313 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.84 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.64 -43.15 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.43 109.357 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.3 OUTLIER -37.27 -54.34 2.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 52.24 110.339 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.96 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 70.14 110.909 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.987 HD22 ' SD ' ' A' 2026 ' ' MET . 34.9 mt -48.2 -55.42 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 75.12 109.262 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' 2059 ' ' GLU . 13.5 m-70 -60.9 -51.81 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 73.12 109.514 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.68 -49.02 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 44.2 109.266 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.22 -41.55 50.04 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 72.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.634 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.0 OUTLIER -65.26 -34.57 78.67 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.065 . . . . 72.24 111.016 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.2 mm-40 -74.81 -62.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 1.179 . . . . 75.22 110.371 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.455 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.0 ptm180 -72.52 -7.92 52.47 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.549 1.156 . . . . 71.31 110.323 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' 2057 ' ' MET . . . -125.36 67.51 0.52 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 52.4 110.949 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.3 Cg_endo -75.08 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 74.1 111.076 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -153.32 -73.93 0.13 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.63 1.206 . . . . 73.23 110.244 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2064 ' ' THR . . . . . 1.036 ' O ' HG23 ' A' 2068 ' ' THR . 4.8 p -159.68 175.62 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.41 110.368 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.519 ' HA ' HD22 ' A' 2065 ' ' LEU . 0.2 OUTLIER -53.78 -26.88 25.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 64.21 109.365 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.49 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.439 1.087 . . . . 41.51 109.356 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.518 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -68.33 -37.24 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 74.21 110.183 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2068 ' ' THR . . . . . 1.036 HG23 ' O ' ' A' 2064 ' ' THR . 71.7 p -54.08 -36.36 63.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 64.12 110.377 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -37.15 64.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.368 1.042 . . . . 64.1 110.022 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.62 ' HE2' HG22 ' A' 2111 ' ' ILE . 43.9 t80 -72.82 -53.29 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.33 110.971 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' CA ' ' A' 2075 ' ' GLY . 23.9 t30 -64.85 -29.3 70.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 71.53 109.322 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2072 ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' 2068 ' ' THR . 7.3 mt-30 -78.13 -51.45 10.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.381 1.051 . . . . 74.15 110.293 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.9 -50.68 5.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 74.31 109.265 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.558 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.1 m-85 -94.78 -14.83 24.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 71.21 111.017 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.73 -48.86 1.87 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 63.44 111.051 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -45.82 58.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 0.793 . . . . 73.25 110.294 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -55.17 -54.67 40.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.03 109.203 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.869 HD11 ' HH2' ' A' 2027 ' ' TRP . 37.5 mt -54.94 -34.38 63.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 50.52 109.33 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 26.4 tpp -64.43 -46.84 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.24 111.052 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 5.4 tt0 -60.29 -54.96 39.52 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.438 1.086 . . . . 74.34 110.41 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -52.61 -40.61 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 63.3 109.269 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.44 -42.89 92.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.52 110.271 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.6 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 74.43 110.25 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.735 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.3 m95 -72.08 -30.75 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.988 -1.116 . . . . 73.21 107.988 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 98.2 m -66.53 -58.79 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 75.44 108.258 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.25 73.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 74.3 110.311 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -59.54 -37.54 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 35.42 109.27 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.729 ' CE2' HD12 ' A' 2097 ' ' LEU . 1.2 t80 -75.79 -46.13 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 45.44 111.004 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.532 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 4.1 mtt -56.5 -31.93 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 75.05 110.977 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -55.79 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 72.03 109.315 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.2 t -68.39 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.22 110.05 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.29 94.83 1.81 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.564 1.165 . . . . 53.34 110.995 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.63 113.72 1.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 0.785 . . . . 74.01 109.363 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.9 p -50.01 -37.16 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 72.54 109.351 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.8 tttt -49.4 -49.67 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 63.34 109.336 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.63 -32.2 69.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 74.43 109.379 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.729 HD12 ' CE2' ' A' 2088 ' ' TYR . 1.6 tt -64.97 -49.45 70.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.34 109.304 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.8 m -60.38 -50.31 74.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 62.54 110.334 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.422 ' O ' HD12 ' A' 2103 ' ' LEU . 0.4 OUTLIER -50.84 -51.48 50.77 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.584 1.177 . . . . 75.2 110.245 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.735 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -58.15 -43.21 87.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 74.22 109.312 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.999 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -62.79 -41.18 99.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 72.2 108.057 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 -47.36 71.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 75.21 109.252 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' 2107 ' ' VAL . 6.4 mp -59.44 -55.06 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 73.13 109.27 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.44 ' O ' HG22 ' A' 2107 ' ' VAL . 10.1 m-85 -55.39 -57.4 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 63.34 110.954 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.48 -41.61 30.25 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 73.22 110.942 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -57.08 -45.92 82.92 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.569 1.168 . . . . 71.32 109.548 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -72.74 -39.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 64.5 109.355 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.759 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 7.6 m-85 -67.88 -30.51 69.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 64.22 111.052 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -78.17 -36.83 47.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 72.34 110.301 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -64.35 -51.48 63.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 72.03 110.246 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.62 HG22 ' HE2' ' A' 2070 ' ' PHE . 18.4 pt -45.0 -40.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 73.24 109.355 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 7.7 t -79.63 -50.78 10.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 62.31 110.051 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 70.13 109.392 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.317 -0.623 . . . . 73.2 109.317 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.462 ' CD2' ' CE ' ' A' 2058 ' ' MET . 3.5 m0 -76.51 -47.2 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.31 108.026 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.7 m80 -48.06 -22.67 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 72.32 109.559 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.1 OUTLIER -69.37 -35.03 75.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 72.13 110.249 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.974 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -78.69 -30.68 46.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 54.32 111.061 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.668 ' CH2' HD21 ' A' 2078 ' ' LEU . 64.8 m95 -71.9 -46.53 57.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.537 1.148 . . . . 74.4 108.022 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -59.8 3.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 71.33 109.606 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.3 110.283 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.466 ' CA ' HD11 ' A' 2054 ' ' LEU . . . -60.27 -65.28 3.47 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 52.51 110.944 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.108 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.0 tp -59.95 -29.88 68.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 73.31 109.275 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.47 -53.92 47.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 73.42 110.326 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.95 -50.91 53.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 75.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.754 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -55.31 -47.66 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 74.24 109.35 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 30.7 t -57.71 -40.55 79.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 65.3 109.955 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -63.1 -34.7 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 63.04 110.349 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.76 HD13 ' HA3' ' A' 2046 ' ' GLY . 2.0 mt -69.86 -36.1 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 72.54 109.373 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 72.41 110.992 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.287 -0.635 . . . . 73.03 109.287 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.705 HG21 ' CD2' ' A' 2097 ' ' LEU . 2.3 t -62.36 -23.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 75.44 109.316 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -56.82 -36.47 69.99 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.487 1.117 . . . . 64.45 109.358 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' 2050 ' ' VAL . . . -51.59 -50.85 40.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.606 1.191 . . . . 35.34 111.036 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.546 ' HE3' ' CD1' ' A' 2048 ' ' PHE . 10.7 tmm? -64.6 -53.9 40.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 75.3 111.015 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' 2089 ' ' MET . 11.3 m-85 -51.56 -47.06 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.663 1.227 . . . . 71.43 110.949 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.7 pp20? -73.68 -14.75 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 74.12 110.278 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' 2046 ' ' GLY . 3.7 t -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.621 1.2 . . . . 71.4 109.336 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.829 HD23 ' N ' ' A' 2051 ' ' LEU . 0.4 OUTLIER -78.21 -40.09 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 62.24 109.399 179.878 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' 2053 ' ' PRO . 5.9 mt-10 -41.49 -53.7 7.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 73.4 110.35 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.606 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.99 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 75.14 111.043 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.974 HD22 ' SD ' ' A' 2026 ' ' MET . 56.9 mt -49.96 -55.12 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 73.24 109.259 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2055 ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -60.0 -51.27 70.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 74.32 109.536 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.6 -49.74 67.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 55.44 109.181 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.31 -37.66 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 53.05 111.025 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.57 ' HE3' ' HG2' ' A' 2026 ' ' MET . 2.1 mmt -70.13 -33.26 71.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 62.13 110.991 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.4 -63.34 1.21 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.632 1.208 . . . . 63.24 110.239 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' 2056 ' ' ALA . 7.6 ptm180 -73.38 -19.73 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 73.34 110.203 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -121.53 74.84 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.436 1.085 . . . . 53.41 111.043 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.84 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.667 1.878 . . . . 60.52 111.049 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -133.06 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 72.11 110.284 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -179.27 163.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 71.13 110.388 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' 2068 ' ' THR . 0.2 OUTLIER -49.33 -26.11 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 71.4 109.317 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -73.22 -36.26 66.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 64.31 109.273 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' 2064 ' ' THR . 1.2 pp20? -47.3 -22.34 0.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.109 . . . . 73.54 110.255 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.563 HG23 ' O ' ' A' 2065 ' ' LEU . 46.7 p -53.85 -42.76 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 63.31 110.398 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2069 ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' 2073 ' ' ALA . 0.2 OUTLIER -53.4 -44.92 69.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 74.4 110.012 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.85 ' CZ ' HG22 ' A' 2111 ' ' ILE . 0.8 OUTLIER -72.37 -54.51 9.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 75.44 111.078 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.584 ' O ' ' CA ' ' A' 2075 ' ' GLY . 60.0 t-20 -56.16 -35.08 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.5 109.315 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2072 ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' 2068 ' ' THR . 6.8 mt-30 -81.04 -46.26 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 75.33 110.301 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2073 ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -41.95 -51.93 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 52.2 109.268 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.634 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.5 m-85 -101.75 -12.09 18.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 71.23 111.011 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.584 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.72 -34.41 1.23 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.504 1.128 . . . . 74.53 110.929 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -40.89 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 72.33 110.31 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.0 OUTLIER -61.66 -58.94 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 72.44 109.306 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.668 HD21 ' CH2' ' A' 2027 ' ' TRP . 9.5 mp -52.39 -43.55 64.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 62.34 109.296 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2079 ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -50.69 -49.75 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 72.24 111.074 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 20.7 tt0 -71.74 -47.62 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 74.21 110.296 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' 2103 ' ' LEU . . . -53.72 -44.26 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 72.42 109.312 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -38.76 92.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 71.41 110.316 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -37.62 76.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 70.31 110.249 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.826 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.0 m95 -73.72 -32.26 63.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.973 -1.121 . . . . 75.01 107.973 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.405 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 1.1 m -64.93 -48.79 72.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 60.22 108.28 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -41.14 97.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 71.22 110.305 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -33.96 75.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 72.04 109.242 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.584 ' CE2' HG11 ' A' 2044 ' ' VAL . 6.2 t80 -71.88 -47.32 53.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 63.51 110.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' 2048 ' ' PHE . 0.6 OUTLIER -62.11 -29.21 70.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.23 110.992 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.6 -52.17 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 75.04 109.233 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 49.1 m -83.18 -66.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 73.23 110.028 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.06 89.16 2.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 55.22 111.033 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2093 ' ' ASN . . . . . 0.406 ' O ' ' OD2' ' A' 2096 ' ' ASP . 0.7 OUTLIER -149.09 133.6 17.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 0.785 . . . . 64.5 109.27 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.8 p -72.67 -40.83 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 75.32 109.25 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -49.93 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 74.54 109.315 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2096 ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' 2097 ' ' LEU . 0.0 OUTLIER -65.48 -45.49 83.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.34 109.398 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.705 ' CD2' HG21 ' A' 2044 ' ' VAL . 14.5 tp -58.65 -38.08 77.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 73.25 109.3 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.1 m -61.79 -50.5 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 73.43 110.439 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -47.87 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 73.44 110.312 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.26 -48.17 77.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 70.22 109.366 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.435 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 1.4 m95 -55.52 -37.35 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 74.24 107.954 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.3 -48.06 83.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.35 109.298 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' A' 2081 ' ' ALA . 4.4 mp -54.65 -54.07 46.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 64.23 109.255 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.54 ' O ' HG22 ' A' 2107 ' ' VAL . 18.9 m-85 -56.38 -56.87 15.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 75.43 110.93 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.547 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.78 -33.47 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 64.12 110.881 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.44 -55.12 26.8 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 74.23 109.578 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.634 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.5 m -66.44 -44.26 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 64.44 109.263 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.108 ' CG ' HD22 ' A' 2031 ' ' LEU . 15.0 m-85 -66.22 -29.24 69.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 71.22 110.879 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.547 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.1 ttm180 -76.35 -32.86 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.31 110.309 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -51.63 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.43 110.247 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.85 HG22 ' CZ ' ' A' 2070 ' ' PHE . 12.6 pt -43.53 -38.98 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 64.33 109.262 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 41.8 t -80.54 -54.38 5.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 70.31 110.087 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 75.13 109.312 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.343 -0.614 . . . . 72.23 109.343 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.617 ' CG ' ' CE ' ' A' 2058 ' ' MET . 9.6 m0 -48.44 -51.79 25.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 75.54 107.963 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.9 m80 -46.97 -23.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.324 1.015 . . . . 75.14 109.585 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' 2022 ' ' LEU . 2.0 tm-20 -70.67 -35.3 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 71.41 110.186 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.518 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -77.94 -29.73 50.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 75.45 111.046 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.801 ' HH2' HD11 ' A' 2078 ' ' LEU . 55.1 m95 -69.4 -49.6 53.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.918 -1.141 . . . . 71.32 107.918 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2028 ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' 2029 ' ' GLU . 0.0 OUTLIER -61.42 -56.07 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 73.33 109.58 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' 2028 ' ' HIS . 1.5 mm-40 -57.93 -43.39 86.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 72.45 110.306 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.2 -63.43 4.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.583 1.177 . . . . 74.23 110.92 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.071 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.4 mt -56.32 -30.59 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 64.24 109.229 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -55.84 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 71.43 110.309 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.62 -46.54 63.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 73.33 110.322 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -56.49 -47.63 78.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 61.44 109.305 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.7 m -56.74 -45.46 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 62.33 110.043 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -32.5 70.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.42 110.41 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' 2034 ' ' ALA . 4.3 mt -70.9 -34.67 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 75.12 109.282 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.668 ' HD1' HG12 ' A' 2044 ' ' VAL . 83.7 t80 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 73.15 110.997 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.449 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 58.0 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.32 -0.622 . . . . 75.43 109.32 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.958 HG11 HD21 ' A' 2097 ' ' LEU . 30.7 m -72.32 -14.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.075 . . . . 64.12 109.231 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.449 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.91 -44.38 60.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 73.34 109.302 179.918 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.685 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.28 -53.01 36.92 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 74.31 111.027 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.57 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 7.1 tmm? -53.96 -46.97 71.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 0.738 . . . . 72.22 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.6 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 9.3 m-85 -63.49 -39.2 93.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 54.41 110.994 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.0 mt-10 -75.5 -13.79 60.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.571 1.17 . . . . 71.24 110.281 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' 2046 ' ' GLY . 23.1 t -84.6 -43.29 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.642 1.214 . . . . 74.32 109.33 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.659 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.59 -46.53 25.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 55.25 109.271 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.6 OUTLIER -34.6 -55.34 0.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 71.21 110.284 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.573 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.5 Cg_endo -74.96 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 71.33 110.961 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.518 HD22 ' SD ' ' A' 2026 ' ' MET . 16.9 mt -49.3 -56.65 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 75.43 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' 2051 ' ' LEU . 3.4 m-70 -59.57 -50.45 73.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 75.5 109.63 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.5 ' CB ' HH21 ' A' 2060 ' ' ARG . . . -51.67 -49.9 61.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 62.12 109.3 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.524 ' HE2' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.55 -39.36 57.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 62.44 110.957 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.617 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 2.3 mmt -67.9 -33.56 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 72.33 110.959 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' 2059 ' ' GLU . 4.9 mm-40 -73.21 -63.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 74.15 110.275 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.5 HH21 ' CB ' ' A' 2056 ' ' ALA . 3.5 ptt180 -71.46 -18.59 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.414 1.071 . . . . 73.34 110.28 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2057 ' ' MET . . . -116.64 79.83 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.147 . . . . 50.23 111.006 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.581 1.832 . . . . 53.44 110.959 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.505 ' C ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -145.9 -80.45 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.625 1.203 . . . . 73.21 110.296 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.505 HG23 ' C ' ' A' 2063 ' ' GLN . 27.0 p -156.95 -173.47 4.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 45.34 110.359 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.0 OUTLIER -61.75 -32.91 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.263 0.977 . . . . 70.02 109.341 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.3 86.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.23 109.368 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.557 ' HG2' ' CZ3' ' A' 2023 ' ' TRP . 0.3 OUTLIER -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.2 110.232 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 39.5 m -61.85 -36.13 80.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 72.44 110.377 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.12 74.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.626 1.204 . . . . 55.52 110.124 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.673 ' HE2' HG22 ' A' 2111 ' ' ILE . 38.8 t80 -63.18 -52.39 62.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 70.32 111.011 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' 2075 ' ' GLY . 0.9 OUTLIER -62.03 -29.47 70.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 74.45 109.371 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.78 -39.0 31.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 65.22 110.322 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -57.9 -24.78 59.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.42 109.412 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.814 ' HD1' HG22 ' A' 2107 ' ' VAL . 35.9 m-85 -118.45 -13.6 9.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 73.34 111.009 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.86 -38.87 4.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 53.21 111.022 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2076 ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -81.59 -26.24 35.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 75.34 110.367 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' 2074 ' ' TYR . 73.7 m-20 -80.12 -52.39 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 64.24 109.283 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.801 HD11 ' HH2' ' A' 2027 ' ' TRP . 4.4 mt -57.03 -43.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 64.23 109.275 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2079 ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' 2076 ' ' ARG . 11.1 ptm -66.48 -40.58 89.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 73.52 110.966 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.489 ' N ' ' HG3' ' A' 2079 ' ' MET . 54.7 tt0 -67.71 -57.92 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 73.42 110.326 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -56.93 -43.22 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 63.33 109.384 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2082 ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.9 tp60 -58.32 -39.28 79.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 71.31 110.251 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -37.89 89.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 60.13 110.225 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.4 m95 -66.07 -35.03 79.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 72.32 108.013 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.7 t -61.56 -48.07 82.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 71.14 108.341 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' 2082 ' ' GLN . 5.4 mtp180 -59.98 -38.73 83.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.34 110.233 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' 2091 ' ' SER . 6.5 mtpm? -59.98 -42.39 94.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.54 109.329 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 2092 ' ' GLY . 1.4 t80 -73.35 -48.28 35.51 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.48 1.112 . . . . 71.23 110.994 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -30.37 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.665 1.228 . . . . 51.01 111.048 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.69 -56.74 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 74.45 109.347 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.5 t -72.02 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 61.24 110.021 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.63 83.67 1.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.398 1.061 . . . . 53.01 110.968 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.26 121.45 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 62.54 109.305 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.23 -20.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.41 1.069 . . . . 75.55 109.332 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.3 tptt -62.78 -50.85 69.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 72.11 109.29 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -37.38 75.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 72.45 109.259 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.958 HD21 HG11 ' A' 2044 ' ' VAL . 0.3 OUTLIER -65.61 -47.14 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 71.01 109.299 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -59.59 -43.45 93.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 75.4 110.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 74.2 110.262 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.31 -44.95 84.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 40.12 109.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.622 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.1 OUTLIER -66.37 -30.9 71.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.32 108.054 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.44 -50.64 64.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 74.41 109.284 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.783 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 9.3 mt -57.74 -46.99 83.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.378 1.049 . . . . 74.35 109.23 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.95 -47.06 86.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 72.34 111.051 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.82 -48.59 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 72.42 111.019 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.49 -44.5 96.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.425 1.078 . . . . 74.22 109.502 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.814 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.4 t -61.75 -57.04 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 54.2 109.356 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.071 ' CG ' HD11 ' A' 2031 ' ' LEU . 25.2 m-85 -64.66 -27.34 68.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 74.22 111.021 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.62 ' NE ' ' HZ2' ' A' 2113 ' ' LYS . 3.9 ttm180 -73.93 -26.7 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 63.13 110.242 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -51.98 10.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 74.23 110.287 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.673 HG22 ' HE2' ' A' 2070 ' ' PHE . 11.9 pt -43.18 -34.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 42.31 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 79.1 p -84.0 -53.65 5.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.463 1.102 . . . . 63.41 109.988 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 2113 ' ' LYS . . . . . 0.62 ' HZ2' ' NE ' ' A' 2109 ' ' ARG . 3.5 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 73.32 109.38 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.269 -0.641 . . . . 71.02 109.269 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.577 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -78.44 -51.05 10.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.158 . . . . 74.41 108.05 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -47.15 -22.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 74.4 109.678 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.2 tp10 -68.72 -35.25 76.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 74.15 110.324 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -79.55 -33.09 42.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 61.14 111.082 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.71 ' CH2' HD21 ' A' 2078 ' ' LEU . 64.6 m95 -67.68 -47.71 68.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 71.45 108.005 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -57.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 63.32 109.585 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.2 OUTLIER -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.351 1.032 . . . . 62.25 110.279 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.65 -62.85 5.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 64.41 110.983 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2031 ' ' LEU . . . . . 0.945 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.6 mt -60.21 -32.0 70.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 0.804 . . . . 54.54 109.379 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -54.15 -47.69 71.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 53.31 110.316 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.902 ' OE1' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER -78.15 -50.6 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 72.22 110.29 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -53.7 -46.46 70.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.33 109.256 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' 2031 ' ' LEU . 41.2 t -67.47 -44.08 79.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 65.14 109.968 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.57 -51.93 63.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.363 1.039 . . . . 65.11 110.374 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.902 HD23 ' OE1' ' A' 2033 ' ' GLU . 3.5 pp -70.1 -41.2 74.31 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 72.43 109.345 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.507 ' CD1' HG12 ' A' 2044 ' ' VAL . 49.4 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 65.02 110.965 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.452 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.318 -0.623 . . . . 74.22 109.318 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2044 ' ' VAL . . . . . 1.08 HG11 HD21 ' A' 2097 ' ' LEU . 35.8 m -82.76 -27.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 74.25 109.273 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.452 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.83 -39.53 25.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.385 1.053 . . . . 74.24 109.323 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -57.75 -53.89 41.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 70.33 111.061 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.551 ' HA ' ' HB1' ' A' 2034 ' ' ALA . 4.7 tmm? -53.29 -42.39 66.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 0.731 . . . . 70.52 110.921 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.586 ' HZ ' HD13 ' A' 2097 ' ' LEU . 13.0 m-85 -65.56 -36.98 85.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 70.44 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.549 ' O ' ' CD ' ' A' 2053 ' ' PRO . 26.9 mt-10 -75.63 -14.59 60.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.608 1.192 . . . . 72.23 110.309 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.828 ' O ' HD22 ' A' 2054 ' ' LEU . 18.9 t -84.41 -43.95 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.624 1.203 . . . . 60.15 109.225 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.692 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.88 -45.23 28.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 75.11 109.359 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.448 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.39 -54.41 1.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 71.21 110.341 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.587 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.01 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 71.51 110.988 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.89 -55.37 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 60.43 109.28 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.405 ' O ' ' HG2' ' A' 2059 ' ' GLU . 5.1 m-70 -59.81 -52.01 67.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.517 1.136 . . . . 75.3 109.654 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.95 -49.87 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 64.31 109.254 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.13 -37.96 49.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 72.4 110.965 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.577 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -67.9 -35.33 78.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 74.11 111.076 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' 2055 ' ' HIS . 7.3 mm-40 -72.47 -63.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.368 1.042 . . . . 73.43 110.296 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' 2056 ' ' ALA . 15.0 ptm180 -72.09 -14.82 61.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 75.12 110.357 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.54 73.26 0.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.629 1.206 . . . . 45.12 110.974 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 74.3 111.061 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' 2064 ' ' THR . 3.5 tt0 -147.5 -72.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.35 1.031 . . . . 54.51 110.392 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.518 HG23 ' O ' ' A' 2063 ' ' GLN . 12.8 p -156.3 176.69 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 74.55 110.353 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -62.84 -27.63 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 74.11 109.382 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -38.88 78.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 70.14 109.316 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.499 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -78.9 -20.81 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 65.32 110.309 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.2 m -60.2 -26.72 66.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 74.33 110.352 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -32.28 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 63.42 109.939 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.57 ' HE2' HG22 ' A' 2111 ' ' ILE . 32.5 t80 -68.6 -47.91 65.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.456 1.098 . . . . 75.11 111.027 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 4.1 t30 -71.79 -28.58 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.45 109.31 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.27 -52.4 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 74.12 110.337 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.36 -49.56 5.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 73.11 109.285 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.593 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.2 m-85 -95.34 -16.43 22.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 73.21 110.972 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.25 -33.74 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 72.13 111.075 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2076 ' ' ARG . . . . . 0.554 ' CD ' ' N ' ' A' 2077 ' ' ASP . 0.0 OUTLIER -79.58 -41.28 27.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 55.2 110.322 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' 2076 ' ' ARG . 13.0 m-20 -62.46 -57.84 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.592 1.182 . . . . 53.4 109.362 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.71 HD21 ' CH2' ' A' 2027 ' ' TRP . 9.1 mp -52.25 -44.3 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 73.44 109.301 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -49.78 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 71.43 110.952 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.0 tt0 -70.88 -48.17 55.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 52.43 110.28 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.623 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.55 -45.1 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 53.22 109.285 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -63.15 -36.92 85.22 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.572 1.17 . . . . 74.5 110.355 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.533 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -62.91 -35.29 79.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 74.45 110.299 179.896 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.7 m95 -76.87 -25.51 53.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.956 -1.127 . . . . 51.45 107.956 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.539 ' SG ' ' CD1' ' A' 2048 ' ' PHE . 3.3 t -70.97 -58.43 3.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.656 1.222 . . . . 75.25 108.326 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.533 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.9 OUTLIER -66.05 -28.27 68.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 72.23 110.339 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -70.09 -38.27 75.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.41 109.307 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.401 ' CE2' HD22 ' A' 2097 ' ' LEU . 14.5 t80 -77.1 -40.79 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 64.5 111.038 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 2.6 mtt -60.43 -44.12 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 62.44 111.032 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -56.92 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.354 1.034 . . . . 75.12 109.277 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.91 81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.13 109.962 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -131.89 -140.02 4.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 42.35 110.971 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -149.56 159.59 44.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.51 0.77 . . . . 75.14 109.312 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -36.98 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 72.13 109.246 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -49.6 44.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.44 1.088 . . . . 75.34 109.301 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -64.78 -39.6 93.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 74.45 109.298 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2097 ' ' LEU . . . . . 1.08 HD21 HG11 ' A' 2044 ' ' VAL . 0.7 OUTLIER -62.68 -46.79 86.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 65.54 109.31 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.8 m -59.02 -39.7 82.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 72.23 110.449 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.416 ' O ' HD12 ' A' 2103 ' ' LEU . 1.5 tt0 -60.44 -50.16 74.71 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.633 1.208 . . . . 64.42 110.373 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -54.01 -49.48 68.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.41 109.3 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.655 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.71 -37.09 80.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 74.41 107.997 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.69 -51.32 70.03 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 73.52 109.291 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.623 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.5 mp -54.84 -53.96 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 70.03 109.317 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.485 ' O ' HG22 ' A' 2107 ' ' VAL . 13.8 m-85 -54.88 -54.51 41.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.5 111.007 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.559 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.76 -38.49 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 75.05 110.961 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -54.47 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.31 109.652 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.632 HG21 HD11 ' A' 2078 ' ' LEU . 0.9 OUTLIER -65.87 -49.93 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.18 . . . . 72.52 109.311 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.945 ' CG ' HD11 ' A' 2031 ' ' LEU . 16.6 m-85 -61.32 -28.68 69.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.357 1.035 . . . . 71.01 111.033 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.559 ' CB ' ' O ' ' A' 2105 ' ' TYR . 28.1 ttt180 -74.96 -32.61 61.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 72.21 110.306 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -70.28 -51.45 30.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 64.34 110.233 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.57 HG22 ' HE2' ' A' 2070 ' ' PHE . 18.1 pt -44.9 -31.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 75.02 109.287 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2112 ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' 2113 ' ' LYS . 6.0 m -82.43 -57.01 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.31 109.97 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 2113 ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 74.32 109.333 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.477 HD13 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.258 -0.645 . . . . 75.11 109.258 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.589 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.4 m0 -49.15 -48.09 45.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.114 . . . . 72.22 107.991 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.0 m170 -47.15 -22.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 75.02 109.554 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' 2022 ' ' LEU . 14.2 tp10 -70.27 -37.57 74.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 73.41 110.346 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -73.93 -32.36 63.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.622 1.201 . . . . 61.52 111.028 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 61.7 m95 -68.1 -50.15 56.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.97 -1.122 . . . . 73.02 107.97 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -43.7 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 75.34 109.596 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' 2025 ' ' GLU . 5.9 mm-40 -66.49 -40.92 89.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.578 1.174 . . . . 72.25 110.339 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -56.47 -61.95 6.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 62.33 110.952 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2031 ' ' LEU . . . . . 0.946 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.3 mt -59.33 -32.84 70.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 74.34 109.32 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -54.36 38.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 60.25 110.319 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 74.41 110.291 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -53.85 -44.98 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 53.31 109.293 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.7 p -74.31 -47.82 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 75.52 109.944 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -51.19 -51.16 56.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 74.41 110.301 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' 2043 ' ' ASN . 2.9 pp -66.78 -43.34 84.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 72.52 109.343 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.628 ' CD1' HG22 ' A' 2044 ' ' VAL . 48.1 t80 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.327 1.017 . . . . 65.11 111.009 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.6 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.279 -0.637 . . . . 71.33 109.279 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.795 HG12 ' CE2' ' A' 2048 ' ' PHE . 42.8 t -60.96 -25.69 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 75.41 109.338 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -50.61 -33.66 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 70.21 109.309 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -63.33 -53.86 36.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.542 1.151 . . . . 53.44 111.04 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.624 ' CE ' ' CE1' ' A' 2048 ' ' PHE . 8.7 tmm? -52.93 -41.93 64.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.565 0.803 . . . . 45.42 111.032 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.795 ' CE2' HG12 ' A' 2044 ' ' VAL . 14.7 m-85 -68.3 -37.18 80.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 62.33 111.013 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 33.8 mt-10 -76.17 -14.02 60.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.24 110.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.75 ' O ' HD22 ' A' 2054 ' ' LEU . 17.5 t -84.41 -44.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 74.52 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.56 -45.56 30.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 73.42 109.286 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.466 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.11 -55.21 1.02 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 73.22 110.392 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.566 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.99 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 75.12 110.988 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.94 -56.27 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 64.12 109.329 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' 2051 ' ' LEU . 0.8 OUTLIER -58.88 -52.48 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.063 . . . . 63.34 109.585 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.73 -50.2 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 53.51 109.293 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.522 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.14 -37.23 45.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 65.54 111.011 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.3 mmt -68.93 -32.49 72.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.546 1.154 . . . . 75.24 110.995 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.09 -64.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.32 110.278 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.9 OUTLIER -71.24 -16.96 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 73.55 110.3 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.26 76.35 0.32 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.595 1.185 . . . . 22.11 111.017 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.389 1.731 . . . . 64.44 111.014 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.504 ' C ' HG23 ' A' 2064 ' ' THR . 2.2 tp60 -151.78 -76.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.32 110.349 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.504 HG23 ' C ' ' A' 2063 ' ' GLN . 39.9 p -156.27 179.92 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 73.0 110.388 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -59.87 -27.86 67.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.11 109.326 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -35.21 80.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 54.24 109.254 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -22.45 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 60.4 110.318 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.0 OUTLIER -60.35 -36.62 78.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.31 110.542 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 37.8 m -73.37 -32.0 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 61.22 109.963 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.598 ' HE1' HG22 ' A' 2111 ' ' ILE . 71.6 t80 -66.26 -52.19 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 73.32 111.062 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.506 ' O ' ' CA ' ' A' 2075 ' ' GLY . 2.0 t-20 -66.0 -29.08 69.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 72.21 109.302 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -78.11 -51.44 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 74.24 110.329 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.25 -53.55 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 33.45 109.222 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.639 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.6 m-85 -92.78 -17.42 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 74.32 110.965 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.16 -29.79 0.23 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.612 1.195 . . . . 72.32 110.994 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.83 -45.42 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 71.35 110.232 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' 2074 ' ' TYR . 3.4 m-20 -62.09 -58.09 9.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.32 109.377 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.829 HD11 HG21 ' A' 2107 ' ' VAL . 9.8 mp -52.95 -36.1 59.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 63.05 109.314 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2079 ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.0 OUTLIER -56.36 -53.84 52.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.433 1.083 . . . . 73.23 110.994 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.679 ' OE1' HD22 ' A' 2103 ' ' LEU . 2.8 pt-20 -72.38 -36.62 68.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.434 1.084 . . . . 72.23 110.243 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -63.28 -41.9 99.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 71.14 109.354 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -33.57 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 70.23 110.309 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -36.71 79.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 71.13 110.266 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' 2080 ' ' GLU . 97.1 m95 -67.76 -37.03 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 73.24 108.121 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.2 t -61.04 -50.65 72.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 74.13 108.383 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -41.56 86.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 74.53 110.261 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.24 -46.12 79.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 74.14 109.289 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.578 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 1.2 t80 -69.78 -46.69 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 75.45 111.041 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.587 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 2.7 mtt -58.38 -27.55 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 65.04 111.062 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -56.23 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 71.51 109.309 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 38.3 m -78.14 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 62.15 110.024 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.57 86.23 1.92 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 43.5 111.014 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.77 118.79 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 52.22 109.303 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -53.79 -30.6 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.592 1.183 . . . . 63.03 109.29 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.14 -50.28 73.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 72.54 109.241 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2096 ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' 2096 ' ' ASP . 0.0 OUTLIER -67.5 -39.71 85.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.351 1.032 . . . . 54.03 109.238 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.739 HD21 HG21 ' A' 2044 ' ' VAL . 12.5 tp -62.59 -43.0 99.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 74.21 109.308 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 19.4 m -61.07 -47.25 87.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.645 1.216 . . . . 50.42 110.389 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -45.69 81.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 74.22 110.253 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.61 -47.0 88.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.22 109.335 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.735 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -63.69 -30.44 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 74.12 108.071 179.888 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.18 -48.65 67.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 63.14 109.319 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.679 HD22 ' OE1' ' A' 2080 ' ' GLU . 14.2 mt -57.64 -51.63 68.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 64.44 109.301 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.491 ' O ' HG22 ' A' 2107 ' ' VAL . 19.7 m-85 -54.35 -55.67 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 74.04 110.962 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.85 -38.89 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 72.41 110.996 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.94 -54.2 49.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 74.43 109.512 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.829 HG21 HD11 ' A' 2078 ' ' LEU . 0.9 OUTLIER -68.18 -49.03 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 74.23 109.348 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.946 ' CG ' HD11 ' A' 2031 ' ' LEU . 13.6 m-85 -60.34 -29.06 68.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 62.2 110.959 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' A' 2105 ' ' TYR . 1.7 ttm105 -75.29 -35.0 61.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 73.12 110.352 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -67.31 -51.48 52.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 74.42 110.229 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.598 HG22 ' HE1' ' A' 2070 ' ' PHE . 17.1 pt -45.26 -33.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.2 109.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 72.9 m -88.16 -52.92 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 65.1 109.948 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 44.45 109.338 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.667 ' CD1' ' N ' ' A' 2022 ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.283 -0.636 . . . . 74.42 109.283 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.512 ' O ' ' N ' ' A' 2026 ' ' MET . 9.9 m0 -43.95 -52.38 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 73.12 108.053 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2024 ' ' HIS . . . . . 0.548 ' H ' HD22 ' A' 2022 ' ' LEU . 17.8 m170 -44.07 -37.49 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.517 1.135 . . . . 74.42 109.645 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' 2022 ' ' LEU . 0.8 OUTLIER -60.21 -36.32 77.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 54.24 110.266 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.987 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -71.4 -29.65 65.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 70.51 111.008 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.799 ' HH2' HD21 ' A' 2078 ' ' LEU . 79.3 m95 -71.94 -48.52 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.103 -1.073 . . . . 74.44 108.103 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 m170 -62.94 -59.48 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 63.13 109.608 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.2 tt0 -59.29 -46.45 88.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 71.24 110.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.16 -63.69 4.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 73.23 110.99 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.059 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.3 tp -58.02 -30.39 66.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 0.81 . . . . 73.51 109.291 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.518 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.45 -46.81 76.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 72.14 110.318 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.518 ' N ' ' HG2' ' A' 2032 ' ' GLU . 1.3 tt0 -73.01 -50.51 22.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 64.14 110.34 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.801 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -56.3 -48.9 75.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 75.23 109.283 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 13.0 t -57.64 -43.33 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.42 1.075 . . . . 44.13 110.032 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -34.99 73.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 73.13 110.205 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.801 HD12 ' HA ' ' A' 2034 ' ' ALA . 2.6 mt -70.22 -35.09 73.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 63.22 109.303 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' 2044 ' ' VAL . 69.1 t80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 45.22 111.01 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.475 ' CA ' ' HD3' ' A' 2045 ' ' LYS . 28.6 m-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.28 -0.637 . . . . 63.23 109.28 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2044 ' ' VAL . . . . . 1.029 HG11 HD11 ' A' 2097 ' ' LEU . 14.4 t -67.9 -19.65 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 72.1 109.231 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.475 ' HD3' ' CA ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.77 -40.58 55.29 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.533 1.146 . . . . 70.44 109.332 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.761 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.26 -52.94 33.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.625 1.203 . . . . 74.51 110.981 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.56 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 11.4 tmm? -56.77 -52.88 63.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 70.24 111.028 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.664 ' CD2' ' CE ' ' A' 2089 ' ' MET . 5.9 m-85 -51.38 -46.08 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 61.22 111.068 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.4 pt-20 -73.2 -14.54 61.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 75.13 110.344 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' 2046 ' ' GLY . 24.1 t -87.68 -43.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 75.31 109.361 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.82 HD23 ' N ' ' A' 2051 ' ' LEU . 0.4 OUTLIER -78.01 -39.21 42.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 74.11 109.301 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -42.59 -55.08 7.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 54.33 110.328 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.572 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -75.0 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.657 1.872 . . . . 65.44 110.975 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.987 HD22 ' SD ' ' A' 2026 ' ' MET . 43.8 mt -48.96 -55.42 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 64.54 109.32 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.411 ' O ' ' OE2' ' A' 2059 ' ' GLU . 18.0 m-70 -60.6 -53.04 62.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 75.03 109.526 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.95 -49.73 59.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 70.13 109.269 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.547 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.38 -38.48 53.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 52.01 111.013 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.658 ' HE3' ' HE3' ' A' 2026 ' ' MET . 0.0 OUTLIER -70.26 -30.02 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 75.43 110.99 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.413 ' N ' ' CD ' ' A' 2059 ' ' GLU . 5.2 mm-40 -77.77 -63.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 54.51 110.258 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.9 ptm180 -72.73 -21.77 60.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 71.3 110.272 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.547 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.83 83.68 0.34 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.439 1.087 . . . . 50.14 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.96 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.778 . . . . 71.44 111.027 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 16.6 tp60 -144.76 -71.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 73.44 110.233 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 5.3 t -162.2 175.79 11.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 72.12 110.417 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -39.72 69.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 72.04 109.278 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -57.37 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 64.04 109.271 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 1.7 tp10 -63.63 -31.81 73.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 74.42 110.298 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 29.6 m -54.79 -32.61 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 74.43 110.379 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 44.22 109.97 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.495 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 48.5 t80 -62.81 -53.06 60.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 41.34 110.946 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.72 -29.83 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 72.12 109.277 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -77.41 -53.88 7.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 72.23 110.321 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -52.63 -32.85 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.53 109.324 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.836 ' CD2' HG13 ' A' 2107 ' ' VAL . 3.0 m-85 -90.92 -30.8 16.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 72.34 111.113 179.874 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -42.46 -27.85 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 73.41 110.961 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -44.28 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 0.805 . . . . 75.15 110.294 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' 2074 ' ' TYR . 48.0 m-20 -67.09 -55.09 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 75.33 109.304 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.799 HD21 ' HH2' ' A' 2027 ' ' TRP . 4.5 mp -52.39 -43.87 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 73.55 109.249 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.4 ttm -56.05 -50.76 70.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 74.43 110.996 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.504 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.2 tt0 -65.62 -49.23 69.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 74.43 110.361 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -55.85 -42.14 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.435 1.084 . . . . 73.43 109.381 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2082 ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.9 OUTLIER -61.27 -36.98 81.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 62.12 110.302 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.499 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 73.41 110.294 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.85 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.0 m95 -74.86 -24.12 58.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 75.22 107.963 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.44 -58.86 4.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 42.52 108.24 -179.895 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.499 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.6 OUTLIER -62.09 -28.44 69.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 73.23 110.27 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.498 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -61.66 -50.59 71.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 73.34 109.27 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.584 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.5 OUTLIER -71.16 -42.57 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 75.13 111.04 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.664 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -55.46 -36.28 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 53.41 110.953 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -56.82 2.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 62.42 109.326 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.2 t -63.0 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 63.3 110.027 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.4 82.98 1.67 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 65.22 110.97 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t30 -162.59 113.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 75.03 109.328 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.3 t -52.46 -28.41 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 61.15 109.294 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -53.06 47.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.33 109.356 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.2 -34.62 78.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 72.2 109.232 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2097 ' ' LEU . . . . . 1.029 HD11 HG11 ' A' 2044 ' ' VAL . 0.3 OUTLIER -65.41 -44.52 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 63.41 109.304 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -59.53 -52.32 66.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 70.42 110.438 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2099 ' ' GLN . . . . . 0.404 ' O ' HD12 ' A' 2103 ' ' LEU . 1.1 mm-40 -52.77 -49.15 66.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 71.24 110.271 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.89 -48.17 80.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 60.53 109.246 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.56 -32.98 70.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 74.11 108.058 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -51.58 69.0 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.621 1.201 . . . . 75.4 109.278 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.504 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.8 mp -56.18 -52.86 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 54.33 109.279 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -57.31 -46.04 83.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.2 110.916 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -49.96 -45.9 51.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.54 110.978 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -63.47 -42.55 98.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 43.3 109.59 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.836 HG13 ' CD2' ' A' 2074 ' ' TYR . 2.1 t -60.35 -55.62 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 71.31 109.265 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.059 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -69.11 -27.21 65.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 63.33 111.08 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' 2105 ' ' TYR . 34.3 ttm-85 -77.04 -25.13 52.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.14 110.254 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2110 ' ' ARG . . . . . 0.445 ' HB3' ' OH ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -78.45 -51.08 10.53 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.389 1.056 . . . . 71.42 110.266 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.51 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 13.0 pt -42.44 -29.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 71.54 109.304 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2112 ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' 2110 ' ' ARG . 70.3 p -91.94 -50.1 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 73.45 110.01 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 60.31 109.321 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.438 HD12 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.329 -0.619 . . . . 63.13 109.329 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.616 ' CZ3' ' CG ' ' A' 2067 ' ' GLU . 3.8 m0 -66.57 -54.0 28.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 72.34 107.985 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.6 m80 -45.63 -24.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 64.24 109.561 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.1 tt0 -69.94 -36.12 75.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 73.01 110.253 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.525 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -75.79 -32.12 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.12 110.984 -179.958 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.639 ' CH2' HD21 ' A' 2078 ' ' LEU . 63.2 m95 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.33 108.056 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -58.7 4.51 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.125 . . . . 75.41 109.548 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 0.7 OUTLIER -62.66 -44.68 95.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 71.42 110.377 179.931 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.15 -64.36 4.06 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.523 1.139 . . . . 61.05 111.033 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.093 HD22 ' CD2' ' A' 2108 ' ' PHE . 5.0 tp -58.15 -29.64 65.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 70.14 109.296 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 1.8 tm-20 -53.17 -52.15 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 62.31 110.322 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.84 -51.27 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 74.53 110.285 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.891 ' HB1' ' HG3' ' A' 2047 ' ' MET . . . -53.42 -49.44 67.31 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.319 1.012 . . . . 60.1 109.228 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' 2031 ' ' LEU . 19.0 t -61.4 -42.02 98.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 73.4 110.089 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -55.1 -36.85 66.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 73.23 110.374 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.582 HD13 ' HA3' ' A' 2046 ' ' GLY . 4.9 mt -71.52 -39.68 70.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 74.32 109.305 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 54.4 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 72.53 111.027 -179.927 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2046 ' ' GLY . 2.8 t-20 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.305 -0.628 . . . . 75.14 109.305 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.4 t -46.53 -31.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -55.26 -34.34 63.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 75.44 109.276 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.582 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -57.41 -55.08 32.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 74.14 110.969 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.891 ' HG3' ' HB1' ' A' 2034 ' ' ALA . 24.4 ttp -54.64 -54.8 36.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 0.732 . . . . 74.3 111.052 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.699 ' CD2' ' HE3' ' A' 2089 ' ' MET . 9.3 m-85 -52.46 -36.93 55.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 70.42 110.973 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.55 ' O ' ' CD ' ' A' 2053 ' ' PRO . 22.7 mt-10 -76.59 -16.19 59.65 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.472 1.107 . . . . 73.25 110.27 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.666 HG12 HD23 ' A' 2051 ' ' LEU . 2.6 t -86.15 -41.93 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 71.03 109.307 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' 2051 ' ' LEU . 0.1 OUTLIER -78.1 -44.6 25.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 64.43 109.33 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -37.3 -54.74 1.95 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 75.31 110.374 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.559 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.1 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 51.14 110.959 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.519 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 19.6 mt -49.07 -57.73 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.42 109.345 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 3.0 m-70 -59.53 -50.45 73.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 73.5 109.593 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' 2052 ' ' GLU . . . -52.57 -47.07 67.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 74.52 109.216 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.525 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.71 -39.78 58.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 75.12 110.953 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.612 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 3.6 mmt -70.32 -30.27 67.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 72.14 110.916 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.08 -63.14 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 73.34 110.306 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' 2056 ' ' ALA . 13.5 ptt180 -74.74 -16.01 60.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 74.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.2 74.19 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 70.31 110.971 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 64.1 110.989 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.16 -70.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 71.01 110.324 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' 2066 ' ' LYS . 6.8 t -171.91 170.82 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 75.31 110.382 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -29.34 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 64.04 109.309 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2066 ' ' LYS . . . . . 0.586 ' HB2' HG23 ' A' 2064 ' ' THR . 13.7 mtpt -68.49 -37.51 80.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 74.33 109.205 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.616 ' CG ' ' CZ3' ' A' 2023 ' ' TRP . 2.6 tp10 -85.42 -21.33 28.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 73.04 110.294 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 15.3 m -55.41 -32.17 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 64.23 110.435 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -33.44 73.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.627 1.204 . . . . 74.25 110.002 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 42.1 t80 -66.73 -53.27 35.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 70.31 111.063 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.544 ' O ' ' CA ' ' A' 2075 ' ' GLY . 3.8 t30 -62.39 -30.21 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 73.51 109.263 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -79.17 -49.97 11.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 71.41 110.302 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.81 -54.16 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 73.42 109.387 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.662 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.8 m-85 -93.32 -19.81 20.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 72.01 110.953 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.544 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.46 -30.26 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 72.31 111.03 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.6 OUTLIER -80.92 -44.74 17.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.513 0.772 . . . . 74.23 110.252 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' 2074 ' ' TYR . 23.5 m-20 -61.03 -58.96 6.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.353 1.033 . . . . 60.13 109.269 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.639 HD21 ' CH2' ' A' 2027 ' ' TRP . 8.6 mp -50.93 -44.53 60.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 44.41 109.198 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.2 mtt -50.83 -49.46 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.32 110.992 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 15.6 tt0 -71.93 -47.42 52.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.15 110.297 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.5 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -54.88 -42.66 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 31.12 109.318 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2082 ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' A' 2085 ' ' CYS . 3.9 tt0 -64.9 -37.48 87.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 70.32 110.317 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' 2084 ' ' TRP . 0.0 OUTLIER -62.68 -39.61 94.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 51.44 110.253 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.449 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.0 m95 -69.28 -34.03 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.934 -1.135 . . . . 74.23 107.934 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.606 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.8 t -58.29 -56.59 20.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 65.04 108.337 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -40.01 71.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 74.22 110.271 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' 2091 ' ' SER . 1.6 mtpp -57.67 -46.71 83.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 64.14 109.277 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.535 ' CZ ' HD22 ' A' 2097 ' ' LEU . 7.2 t80 -73.37 -34.31 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 72.42 111.056 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.699 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.7 mtt -65.13 -35.32 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 71.23 110.931 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -56.96 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 73.33 109.232 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.9 t -62.97 -64.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 54.4 109.991 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 97.89 79.3 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 55.5 111.033 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.93 109.56 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 73.54 109.341 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -48.19 -35.59 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.624 1.202 . . . . 74.24 109.258 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.4 tttp -49.66 -52.25 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 61.44 109.216 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.3 109.326 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.535 HD22 ' CZ ' ' A' 2088 ' ' TYR . 11.8 tp -63.74 -47.88 79.28 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 75.03 109.292 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 25.8 m -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 75.2 110.368 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -47.18 85.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 74.35 110.324 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -61.2 -41.88 97.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 63.3 109.341 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.463 ' NE1' ' SD ' ' A' 2047 ' ' MET . 1.9 m95 -60.74 -41.04 94.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.961 -1.125 . . . . 74.13 107.961 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -50.2 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 73.43 109.278 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 4.9 mp -54.23 -54.18 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 63.21 109.328 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.566 ' O ' HG22 ' A' 2107 ' ' VAL . 11.8 m-85 -54.99 -57.75 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 63.21 111.074 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -50.04 -33.33 17.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 73.23 111.024 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -52.99 59.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 72.42 109.541 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.662 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.4 m -68.67 -45.35 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 74.23 109.271 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.093 ' CD2' HD22 ' A' 2031 ' ' LEU . 14.4 m-85 -64.51 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 54.12 111.038 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.55 ' CB ' ' O ' ' A' 2105 ' ' TYR . 5.3 ttm-85 -78.01 -34.33 50.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 72.14 110.3 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.12 -51.41 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 75.23 110.289 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.531 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 18.1 pt -44.73 -38.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 72.13 109.288 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 2112 ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.1 OUTLIER -82.94 -53.23 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 71.45 109.993 -179.922 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A 2113 ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 71.1 109.28 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' 2024 ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 73.11 109.269 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.638 ' CG ' ' HE1' ' A' 2058 ' ' MET . 4.8 m0 -48.29 -50.7 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 72.55 108.025 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2024 ' ' HIS . . . . . 0.62 ' N ' HD23 ' A' 2022 ' ' LEU . 2.0 m-70 -44.51 -25.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 70.45 109.579 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' 2022 ' ' LEU . 3.9 tp10 -70.07 -36.7 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 71.32 110.259 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.655 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.0 OUTLIER -70.56 -39.01 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 74.23 111.018 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.717 ' CH2' HD21 ' A' 2078 ' ' LEU . 41.7 m95 -65.94 -46.29 78.71 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.958 -1.127 . . . . 75.5 107.958 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -58.49 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 71.3 109.641 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.36 -42.67 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.412 1.07 . . . . 62.15 110.345 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.48 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.68 -64.47 3.88 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.43 1.081 . . . . 74.34 110.965 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2031 ' ' LEU . . . . . 0.876 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.9 mt -56.32 -32.16 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 73.42 109.278 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -53.88 40.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 65.05 110.326 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.62 -48.0 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 71.21 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -52.47 -49.13 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 71.34 109.329 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' 2031 ' ' LEU . 8.0 t -60.69 -48.21 82.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 61.52 109.97 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -50.99 -34.76 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 63.33 110.342 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.776 HD13 ' C ' ' A' 2046 ' ' GLY . 2.0 mt -71.44 -49.47 41.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 75.15 109.384 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.624 ' HD1' HG12 ' A' 2044 ' ' VAL . 85.3 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 70.32 110.991 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.41 ' HA ' ' HD3' ' A' 2045 ' ' LYS . 22.6 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.321 -0.622 . . . . 60.14 109.321 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.915 HG21 HD11 ' A' 2097 ' ' LEU . 34.1 m -70.43 -16.64 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.513 1.133 . . . . 74.13 109.237 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.56 -45.23 56.92 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.525 1.141 . . . . 73.05 109.274 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.776 ' C ' HD13 ' A' 2037 ' ' LEU . . . -52.82 -54.05 30.18 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.142 . . . . 51.43 110.944 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.615 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 7.3 tmm? -52.83 -52.21 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 54.31 111.057 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.585 ' CD2' ' HE3' ' A' 2089 ' ' MET . 10.5 m-85 -51.95 -40.93 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 71.33 111.049 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 27.1 mt-10 -76.69 -15.33 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 75.51 110.333 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.569 ' C ' ' HD2' ' A' 2053 ' ' PRO . 5.9 t -87.43 -43.26 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 65.41 109.302 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.842 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -77.21 -39.58 48.14 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 65.23 109.356 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.2 OUTLIER -41.93 -55.72 5.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 75.01 110.293 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.569 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.9 -50.78 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.512 1.796 . . . . 71.42 111.05 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.615 HD22 ' CG ' ' A' 2026 ' ' MET . 13.8 mt -49.02 -55.3 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 72.4 109.301 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.451 ' O ' ' HG2' ' A' 2059 ' ' GLU . 5.5 m-70 -60.74 -53.7 54.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 73.21 109.628 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -49.63 -48.79 48.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 64.53 109.266 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.524 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -52.44 -39.99 61.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 65.25 110.985 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.638 ' HE1' ' CG ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -70.39 -28.15 64.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 72.11 111.062 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' 2055 ' ' HIS . 2.3 mm-40 -77.19 -63.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 71.13 110.37 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -74.92 -20.87 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.43 110.291 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.5 0.3 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.578 1.174 . . . . 71.24 111.013 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.513 1.796 . . . . 73.25 111.031 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.412 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.0 OUTLIER -139.91 -62.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.684 1.24 . . . . 73.52 110.264 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' 2067 ' ' GLU . 1.1 t 179.59 169.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 44.2 110.393 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -50.96 -28.61 10.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 74.25 109.425 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 12.8 tttp -70.1 -35.07 73.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 64.45 109.33 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' 2064 ' ' THR . 15.0 mm-40 -86.92 -19.43 28.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.48 1.112 . . . . 62.21 110.278 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 17.5 m -57.9 -29.62 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 64.54 110.32 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 88.3 p -74.87 -34.22 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.368 1.043 . . . . 73.23 109.963 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.555 ' HE2' HG22 ' A' 2111 ' ' ILE . 41.3 t80 -66.29 -46.35 77.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 73.34 110.912 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' 2075 ' ' GLY . 36.3 t30 -73.22 -27.86 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.31 109.361 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.78 -54.53 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.04 110.28 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.27 -42.87 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 74.01 109.305 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.624 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 16.8 m-85 -99.71 -18.92 17.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 75.22 111.0 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -40.7 -29.54 0.27 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 74.04 111.028 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2076 ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' 2074 ' ' TYR . 1.8 ttm180 -77.74 -46.25 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 75.32 110.396 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.59 ' HB2' HG11 ' A' 2107 ' ' VAL . 18.1 m-20 -62.94 -57.07 12.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.23 109.336 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.717 HD21 ' CH2' ' A' 2027 ' ' TRP . 10.0 mp -51.3 -45.55 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.641 1.213 . . . . 75.42 109.341 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 16.9 mmm -51.0 -51.15 55.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 75.01 110.994 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 25.2 tt0 -71.57 -48.76 46.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.32 110.353 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.15 -42.29 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 70.33 109.325 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.65 -40.03 95.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 73.4 110.323 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.589 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -58.16 -39.6 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 64.21 110.348 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.644 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.2 m95 -71.58 -31.46 66.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 73.41 107.999 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.468 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 9.2 t -68.6 -59.45 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 54.04 108.287 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.589 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.2 OUTLIER -62.01 -35.64 79.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 63.42 110.324 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.12 -31.57 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 74.14 109.254 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' 2088 ' ' TYR . 0.2 OUTLIER -78.73 -32.41 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 64.52 111.08 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.585 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -71.98 -33.96 68.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 73.44 110.983 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -21.44 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 74.21 109.122 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 22.9 t -112.97 -75.19 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 72.33 109.953 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 110.23 110.61 3.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.448 1.092 . . . . 73.24 110.876 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -170.26 113.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 0.707 . . . . 61.33 109.305 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2094 ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' 2095 ' ' LYS . 1.4 p -53.63 -44.28 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 65.12 109.352 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2095 ' ' LYS . . . . . 0.409 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.0 OUTLIER -49.1 -47.06 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 62.2 109.299 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2096 ' ' ASP . . . . . 0.539 ' OD2' ' C ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -64.01 -40.16 95.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 71.55 109.293 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.915 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -57.72 -47.28 82.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 75.23 109.294 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.9 m -59.89 -43.79 94.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.64 1.213 . . . . 61.41 110.372 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -49.3 78.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 73.03 110.385 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -58.9 -50.12 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 70.13 109.34 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.642 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.2 OUTLIER -58.2 -32.01 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.114 . . . . 74.22 107.991 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.18 -51.68 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 60.21 109.323 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.58 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.4 mp -54.06 -52.86 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.354 1.034 . . . . 75.54 109.302 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.519 ' O ' HG22 ' A' 2107 ' ' VAL . 10.3 m-85 -54.89 -56.37 20.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 73.35 111.041 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.566 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.56 -35.63 9.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 75.24 111.038 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -54.68 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 74.22 109.602 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.688 HG21 HD11 ' A' 2078 ' ' LEU . 1.4 m -67.98 -48.43 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.188 . . . . 73.12 109.348 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.876 ' CG ' HD11 ' A' 2031 ' ' LEU . 19.4 m-85 -60.75 -29.34 69.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 71.31 111.059 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.566 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.7 ttm180 -74.23 -38.67 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 72.02 110.362 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -63.78 -51.38 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 61.14 110.293 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.555 HG22 ' HE2' ' A' 2070 ' ' PHE . 23.5 pt -48.0 -31.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 54.14 109.324 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 29.9 t -88.28 -59.48 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 53.12 109.965 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.176 . . . . 62.5 109.279 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.67 HD22 ' CE1' ' A' 2024 ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.272 -0.64 . . . . 73.32 109.272 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.64 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.4 m0 -53.51 -44.69 69.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 71.2 108.034 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2024 ' ' HIS . . . . . 0.67 ' CE1' HD22 ' A' 2022 ' ' LEU . 4.7 m80 -48.2 -23.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 63.52 109.593 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' 2022 ' ' LEU . 22.4 tp10 -68.42 -34.26 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 52.21 110.289 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.746 ' CG ' HD22 ' A' 2054 ' ' LEU . 0.4 OUTLIER -78.36 -33.67 48.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 75.54 110.954 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.934 ' CH2' HD11 ' A' 2078 ' ' LEU . 6.1 m95 -74.83 -37.03 62.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 75.23 107.981 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -58.92 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 74.21 109.613 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.413 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 8.1 pt-20 -68.79 -30.12 68.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 70.34 110.378 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.33 -64.55 4.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 71.52 110.899 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2031 ' ' LEU . . . . . 0.997 HD22 ' CH2' ' A' 2101 ' ' TRP . 5.4 mt -61.59 -32.04 72.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 75.31 109.311 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' 2036 ' ' ARG . 0.0 OUTLIER -53.68 -49.41 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.363 1.04 . . . . 73.03 110.367 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' 2033 ' ' GLU . 0.0 OUTLIER -78.67 -44.6 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.628 1.205 . . . . 74.35 110.373 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.494 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -58.13 -43.27 87.15 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.473 1.108 . . . . 60.13 109.383 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' 2031 ' ' LEU . 59.5 p -77.14 -46.72 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 71.15 110.113 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2036 ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' 2032 ' ' GLU . 1.3 tmt_? -51.97 -45.87 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 73.4 110.27 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.592 HD21 ' C ' ' A' 2046 ' ' GLY . 1.6 pp -71.5 -44.8 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' 2034 ' ' ALA . 38.9 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 71.52 110.938 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.291 -0.633 . . . . 75.11 109.291 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.866 HG12 ' CE2' ' A' 2048 ' ' PHE . 40.9 t -62.2 -13.17 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 51.11 109.327 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -39.17 74.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.41 109.336 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.592 ' C ' HD21 ' A' 2037 ' ' LEU . . . -56.06 -56.82 22.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 62.21 111.059 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.68 ' CE ' HG13 ' A' 2044 ' ' VAL . 0.1 OUTLIER -59.52 -41.58 90.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 63.23 110.98 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.866 ' CE2' HG12 ' A' 2044 ' ' VAL . 3.0 m-30 -61.77 -41.65 97.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 74.22 111.04 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.566 ' O ' ' CD ' ' A' 2053 ' ' PRO . 6.7 pt-20 -74.08 -13.47 60.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 73.42 110.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.617 HG12 HD23 ' A' 2051 ' ' LEU . 9.3 t -83.12 -46.98 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 72.22 109.213 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.76 -42.73 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 74.34 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -36.06 -53.86 1.5 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 73.4 110.273 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.96 -51.81 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.436 1.756 . . . . 70.45 111.031 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.746 HD22 ' CG ' ' A' 2026 ' ' MET . 20.3 mt -47.76 -54.6 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 41.45 109.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2055 ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -62.01 -46.94 87.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 75.23 109.563 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -54.96 -48.67 72.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.34 109.329 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2057 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -38.38 58.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 61.33 110.994 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.64 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -65.12 -45.86 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 73.34 111.005 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.82 -62.4 1.83 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 61.25 110.264 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -33.85 76.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.372 1.045 . . . . 64.22 110.289 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -124.73 89.34 0.39 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.409 1.068 . . . . 61.55 111.029 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.448 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -74.98 -94.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 74.24 110.94 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.51 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER 177.32 -82.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 73.14 110.313 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.51 HG23 ' O ' ' A' 2063 ' ' GLN . 0.9 OUTLIER -154.28 -169.06 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 63.22 110.406 -179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.2 OUTLIER -69.71 -27.18 64.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 64.41 109.296 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 17.2 tttt -77.83 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 60.25 109.305 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 3.1 tp10 -54.08 -19.94 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 64.14 110.252 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' 2065 ' ' LEU . 0.8 OUTLIER -54.52 -26.63 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 71.11 110.382 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -40.06 64.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 71.12 110.041 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 38.5 t80 -63.51 -50.75 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.14 110.974 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.555 ' O ' ' CA ' ' A' 2075 ' ' GLY . 42.1 t-20 -64.6 -28.79 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 73.32 109.312 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -78.35 -51.13 10.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 73.04 110.273 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.5 -51.8 4.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.643 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 24.8 m-85 -96.03 -12.56 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 71.15 111.023 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.555 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.3 -49.06 3.72 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.482 1.114 . . . . 63.11 110.967 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -46.33 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 73.14 110.204 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -50.28 -59.38 4.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 71.45 109.346 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.934 HD11 ' CH2' ' A' 2027 ' ' TRP . 66.0 mt -54.2 -36.41 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 64.04 109.276 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.36 95.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 74.24 110.977 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.1 tt0 -63.5 -56.22 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 63.12 110.297 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.463 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -52.72 -43.58 65.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 73.01 109.249 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.41 -42.31 86.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 75.02 110.334 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.39 79.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 63.24 110.208 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.801 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.5 m95 -69.01 -32.61 72.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.24 108.041 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 55.8 m -60.13 -57.72 11.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 54.02 108.328 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -57.98 -37.58 74.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 44.45 110.337 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -62.76 -33.89 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.4 109.275 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.86 ' CE2' HD12 ' A' 2097 ' ' LEU . 3.0 t80 -78.26 -47.07 18.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 73.4 110.911 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.7 mtt -58.21 -31.29 67.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 75.13 110.95 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.09 -56.12 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 75.42 109.347 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.7 t -71.53 -64.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 75.01 109.968 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.67 90.26 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 52.42 110.962 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.41 124.5 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.53 109.316 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.7 p -63.9 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 71.42 109.289 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.25 -52.0 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 74.22 109.358 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2096 ' ' ASP . . . . . 0.459 ' CB ' ' HE2' ' A' 2087 ' ' LYS . 0.0 OUTLIER -67.36 -36.03 80.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 74.22 109.293 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.86 HD12 ' CE2' ' A' 2088 ' ' TYR . 2.1 tt -62.06 -45.73 92.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 72.22 109.35 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -60.51 -47.1 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.05 110.41 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -50.22 66.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 72.22 110.326 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.801 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.61 -46.32 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 52.54 109.262 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.997 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.62 -35.19 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 73.25 108.101 179.921 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -49.13 77.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 61.25 109.246 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.6 mp -58.62 -53.27 60.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 73.32 109.362 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.595 ' O ' HG22 ' A' 2107 ' ' VAL . 9.8 m-85 -54.83 -57.92 9.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 64.41 111.014 179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' 2109 ' ' ARG . 0.6 OUTLIER -49.27 -35.51 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 75.22 110.926 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2106 ' ' HIS . . . . . 0.499 ' O ' ' HG3' ' A' 2109 ' ' ARG . 0.2 OUTLIER -63.02 -48.07 80.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.204 . . . . 72.02 109.569 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.643 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.7 m -76.73 -36.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.517 1.135 . . . . 73.1 109.28 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.75 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 6.6 m-85 -70.03 -32.3 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 1.057 . . . . 72.11 110.92 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -82.45 -25.7 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 63.22 110.304 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2110 ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -72.95 -52.24 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 74.24 110.291 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 4.3 pt -42.47 -28.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 70.3 109.336 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2112 ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' 2110 ' ' ARG . 10.5 m -87.57 -53.97 4.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 20.32 109.968 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 62.31 109.312 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' 2025 ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.306 -0.627 . . . . 73.25 109.306 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.659 ' CE2' ' NE2' ' A' 2063 ' ' GLN . 7.4 m0 -61.18 -49.24 77.99 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.978 -1.119 . . . . 73.45 107.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.8 m170 -46.28 -24.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 73.55 109.577 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' 2023 ' ' TRP . 25.9 tp10 -68.74 -39.24 80.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.41 110.252 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.834 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.64 -31.31 63.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.329 1.018 . . . . 72.11 110.997 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.682 ' CH2' HD21 ' A' 2078 ' ' LEU . 56.9 m95 -67.68 -48.52 66.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 74.22 107.971 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -66.61 -43.86 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 53.32 109.518 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.8 tt0 -64.86 -46.85 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 51.32 110.289 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.512 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -53.11 -58.51 11.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 42.24 111.004 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2031 ' ' LEU . . . . . 0.882 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.6 mt -61.57 -32.28 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 0.732 . . . . 75.52 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -53.2 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 62.23 110.277 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -79.28 -50.34 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.21 110.219 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.568 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.16 -49.39 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 73.32 109.239 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' 2031 ' ' LEU . 14.5 p -70.4 -36.81 74.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 44.32 110.092 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -54.54 -52.66 61.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 72.34 110.34 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.548 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.6 pp -71.97 -41.13 68.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 72.51 109.268 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' 2047 ' ' MET . 34.3 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.02 111.042 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.8 m-20 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.261 -0.644 . . . . 74.51 109.261 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.558 HG21 ' OH ' ' A' 2088 ' ' TYR . 4.5 m -83.63 -11.23 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 61.31 109.314 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -36.79 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 74.02 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.905 ' O ' HG23 ' A' 2050 ' ' VAL . . . -59.77 -56.15 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.546 1.154 . . . . 55.54 110.962 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' 2038 ' ' TYR . 0.5 OUTLIER -63.08 -38.8 92.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 0.732 . . . . 75.1 111.064 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.5 m-85 -69.94 -40.74 75.32 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.463 1.102 . . . . 61.13 111.042 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.586 ' O ' ' CD ' ' A' 2053 ' ' PRO . 16.8 pt-20 -74.89 -13.26 60.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 74.41 110.306 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' 2046 ' ' GLY . 24.3 t -83.46 -45.68 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 60.13 109.254 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.633 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -77.11 -44.61 29.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 74.54 109.316 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 3.1 mt-10 -35.33 -55.61 1.06 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 55.41 110.3 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.586 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -75.04 -49.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 53.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.834 HD22 ' SD ' ' A' 2026 ' ' MET . 15.9 mt -48.85 -56.66 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 72.11 109.285 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 41.3 m170 -60.15 -51.86 67.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 74.25 109.594 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.96 -48.56 60.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 54.34 109.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.526 ' HE2' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.37 -39.38 57.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 71.24 110.932 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.622 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.5 mmt -66.89 -34.11 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 61.32 111.055 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' 2055 ' ' HIS . 1.5 mm-40 -74.4 -63.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 72.33 110.288 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' 2056 ' ' ALA . 48.5 ptt85 -70.27 -18.21 63.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 74.21 110.289 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.43 77.29 0.29 Allowed Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.434 1.084 . . . . 65.02 111.091 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.05 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.768 . . . . 72.51 110.968 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.659 ' NE2' ' CE2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -149.77 -77.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 63.51 110.372 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.548 HG23 ' O ' ' A' 2063 ' ' GLN . 3.2 p -156.16 -166.0 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 75.25 110.396 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -64.24 -26.95 68.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 75.42 109.186 -179.932 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -60.55 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 75.31 109.285 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' 2063 ' ' GLN . 0.5 OUTLIER -57.49 -30.68 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 74.42 110.198 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' 2072 ' ' GLN . 1.0 OUTLIER -54.34 -38.5 66.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.199 . . . . 71.42 110.427 -179.894 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -31.8 62.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 72.23 110.047 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.591 ' HE1' HG22 ' A' 2111 ' ' ILE . 74.9 t80 -69.13 -52.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 74.2 111.005 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.548 ' O ' ' CA ' ' A' 2075 ' ' GLY . 11.0 t30 -64.34 -29.69 70.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 75.31 109.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2072 ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' 2068 ' ' THR . 17.7 mm-40 -79.66 -51.17 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 71.35 110.28 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.24 -50.58 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.182 . . . . 32.14 109.312 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.629 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.3 m-85 -97.84 -14.66 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 74.51 110.963 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.548 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -43.13 -28.72 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.601 1.188 . . . . 74.34 110.953 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2076 ' ' ARG . . . . . 0.432 ' CG ' ' N ' ' A' 2077 ' ' ASP . 3.7 ptm85 -78.8 -45.48 20.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 0.804 . . . . 73.42 110.204 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.445 ' HB2' HG11 ' A' 2107 ' ' VAL . 13.4 m-20 -64.03 -56.39 15.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.388 1.055 . . . . 62.13 109.367 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.682 HD21 ' CH2' ' A' 2027 ' ' TRP . 10.3 mp -51.12 -44.82 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 74.52 109.32 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 34.9 mmm -53.45 -50.53 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 71.41 110.989 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2080 ' ' GLU . . . . . 0.507 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 24.7 tt0 -71.1 -46.95 60.78 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.451 1.094 . . . . 72.13 110.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.64 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.7 -44.2 69.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 73.02 109.334 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -38.41 91.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 73.33 110.251 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2083 ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -60.66 -36.9 79.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 74.33 110.38 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.7 m95 -76.0 -25.32 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 71.02 107.999 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.4 t -71.11 -59.11 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 70.12 108.405 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2086 ' ' ARG . . . . . 0.487 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 4.9 ptt180 -65.4 -28.81 69.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 73.43 110.313 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -69.03 -38.23 79.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 75.2 109.306 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.597 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.1 OUTLIER -75.29 -38.07 60.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.583 1.177 . . . . 75.44 111.064 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2089 ' ' MET . . . . . 0.457 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 3.3 mtt -66.72 -34.22 77.36 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.583 1.177 . . . . 63.31 110.999 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -36.41 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 72.31 109.294 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.9 t -90.5 -71.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 43.32 109.961 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 108.98 99.15 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 42.52 110.938 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -168.67 115.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 61.44 109.26 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -54.72 -39.96 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 62.32 109.35 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -52.41 -48.06 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 65.41 109.262 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2096 ' ' ASP . . . . . 0.418 ' OD2' ' CE ' ' A' 2087 ' ' LYS . 10.4 m-20 -67.69 -34.17 76.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 63.23 109.257 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.597 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 37.7 tp -64.71 -50.01 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 61.13 109.314 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.9 m -59.8 -47.35 86.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 73.42 110.362 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -51.95 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 74.12 110.31 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -53.69 -50.39 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 73.52 109.291 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.648 ' CZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -58.66 -33.78 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 75.1 107.967 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -50.28 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 74.32 109.304 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.64 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.8 mp -55.8 -53.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.15 109.273 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2104 ' ' TYR . . . . . 0.483 ' O ' HG22 ' A' 2107 ' ' VAL . 15.1 m-85 -57.95 -55.94 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 74.12 111.046 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.548 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.14 -30.61 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.23 110.972 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -69.22 -54.8 12.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 73.5 109.691 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.678 HG21 HD11 ' A' 2078 ' ' LEU . 1.3 m -64.97 -47.46 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.01 109.291 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.882 ' CG ' HD11 ' A' 2031 ' ' LEU . 18.7 m-85 -62.95 -29.37 70.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 70.44 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' 2105 ' ' TYR . 32.0 ttm180 -74.82 -31.74 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.31 110.303 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -71.75 -51.47 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 74.42 110.35 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.591 HG22 ' HE1' ' A' 2070 ' ' PHE . 18.8 pt -45.26 -31.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 71.43 109.331 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -46.08 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 70.42 109.937 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 75.53 109.381 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.315 -0.624 . . . . 52.42 109.315 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.614 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.1 m0 -76.39 -50.15 14.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.019 -1.104 . . . . 74.52 108.019 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.3 m170 -47.89 -22.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 61.5 109.643 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' 2023 ' ' TRP . 53.1 tp10 -73.15 -36.22 66.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 73.13 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.6 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -71.97 -32.7 67.5 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.512 1.133 . . . . 73.4 110.99 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.694 ' CZ3' HG11 ' A' 2107 ' ' VAL . 82.5 m95 -71.95 -51.86 19.99 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.545 1.153 . . . . 62.43 108.046 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2028 ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' 2032 ' ' GLU . 0.2 OUTLIER -52.56 -60.08 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 64.21 109.648 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' 2032 ' ' GLU . 10.3 pt-20 -67.93 -31.17 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 75.21 110.275 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' 2026 ' ' MET . . . -58.5 -66.55 2.73 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 45.53 111.029 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2031 ' ' LEU . . . . . 0.997 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.3 mt -61.22 -30.14 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 60.51 109.317 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2032 ' ' GLU . . . . . 0.5 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.64 -49.53 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.185 . . . . 51.33 110.357 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.5 ' N ' ' HG2' ' A' 2032 ' ' GLU . 3.2 tt0 -72.34 -49.98 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 75.02 110.351 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.753 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.84 -48.17 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 62.22 109.18 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 8.6 t -57.31 -48.19 79.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 64.35 110.059 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -37.96 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 72.22 110.33 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' 2034 ' ' ALA . 1.8 mt -70.86 -36.67 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 72.1 109.281 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 72.24 110.99 -179.972 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.396 -0.594 . . . . 73.14 109.396 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.691 HG12 ' CD2' ' A' 2048 ' ' PHE . 12.5 t -61.78 -12.69 7.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.407 1.067 . . . . 74.44 109.293 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.19 -40.94 67.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 62.02 109.324 -179.933 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.428 ' C ' HD13 ' A' 2037 ' ' LEU . . . -54.72 -57.39 17.99 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.541 1.151 . . . . 55.35 110.985 179.919 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.536 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 0.2 OUTLIER -56.83 -49.35 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 73.41 111.024 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.691 ' CD2' HG12 ' A' 2044 ' ' VAL . 2.0 m-85 -61.64 -34.94 76.56 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 74.51 111.065 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.515 ' O ' ' CD ' ' A' 2053 ' ' PRO . 4.6 mm-40 -76.89 -14.53 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 71.2 110.282 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.993 ' O ' HD22 ' A' 2054 ' ' LEU . 2.9 t -85.54 -42.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 65.05 109.358 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -78.03 -43.86 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 72.2 109.293 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.482 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -37.12 -52.96 2.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 74.05 110.387 179.913 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.604 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.97 -51.1 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.323 1.696 . . . . 63.51 110.939 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.04 -55.83 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 54.52 109.367 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.414 ' CE1' ' HG ' ' A' 2078 ' ' LEU . 12.4 m-70 -62.07 -48.44 80.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.12 109.597 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.84 -50.73 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 65.53 109.27 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.41 -37.62 49.36 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.43 1.081 . . . . 53.41 111.055 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.614 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.7 OUTLIER -66.56 -40.65 89.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 75.1 111.022 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.94 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 62.21 110.421 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -65.65 -39.19 91.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 72.43 110.31 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.58 81.75 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 55.02 111.068 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.489 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.1 Cg_endo -74.98 -94.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 62.33 110.984 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.37 -82.87 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.368 1.042 . . . . 72.53 110.241 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2064 ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' 2068 ' ' THR . 7.5 t -155.27 167.14 31.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.5 110.459 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -27.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 63.43 109.281 -179.885 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2066 ' ' LYS . . . . . 0.454 ' H ' HG23 ' A' 2064 ' ' THR . 10.3 tttt -74.13 -41.52 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 75.04 109.352 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' 2064 ' ' THR . 3.0 tp10 -81.96 -19.59 40.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 64.43 110.229 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2068 ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' 2064 ' ' THR . 6.1 m -56.71 -27.36 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 63.34 110.384 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.0 t -68.71 -52.16 33.79 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 75.33 109.954 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' 2070 ' ' PHE . 5.9 t80 -63.94 -53.81 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.34 111.017 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' 2075 ' ' GLY . 13.2 t-20 -50.31 -35.18 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 65.53 109.339 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.29 -55.2 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.01 110.326 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.29 -41.81 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 52.42 109.288 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.749 ' HD2' HG13 ' A' 2107 ' ' VAL . 5.2 m-85 -93.98 -32.86 13.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 63.34 111.056 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -45.46 -25.87 1.44 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 75.34 110.959 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -80.97 -35.42 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 64.54 110.333 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.9 m-20 -67.03 -60.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 73.13 109.257 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.655 ' N ' HD13 ' A' 2078 ' ' LEU . 0.1 OUTLIER -52.27 -45.54 65.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 73.34 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.5 mtp -51.66 -50.53 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.553 1.158 . . . . 70.3 111.013 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.91 -56.73 14.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 74.11 110.358 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.862 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -54.31 -40.71 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.33 109.271 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 64.3 110.266 -179.855 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.58 76.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 72.1 110.298 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.52 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 78.4 m95 -66.81 -35.08 79.23 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.521 1.138 . . . . 65.31 108.017 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.617 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 22.4 t -65.16 -52.23 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 71.53 108.304 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -40.19 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 74.02 110.352 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.52 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.1 OUTLIER -67.33 -32.28 73.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 75.11 109.297 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 4.3 t80 -78.95 -47.9 15.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.388 1.055 . . . . 71.33 111.051 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 6.1 mmm -58.01 -34.87 70.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 75.4 110.999 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -56.13 3.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 63.21 109.269 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.3 t -72.52 -67.09 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 73.24 110.012 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 99.58 88.13 1.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.586 1.179 . . . . 73.53 111.053 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.41 125.35 11.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.574 0.808 . . . . 73.21 109.234 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 p -60.41 -42.83 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 72.54 109.339 179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.64 -47.13 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 72.21 109.217 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2096 ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' 2096 ' ' ASP . 1.7 t0 -66.62 -40.97 89.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 63.41 109.381 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' 2097 ' ' LEU . 1.7 tp -62.17 -45.61 92.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 70.21 109.303 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.7 m -58.25 -48.35 80.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 44.31 110.38 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -46.1 77.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.623 1.202 . . . . 72.02 110.334 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -56.83 -42.86 80.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.43 109.28 -179.915 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.997 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -66.89 -29.48 69.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 72.22 108.026 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -50.74 70.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 73.53 109.189 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.862 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 2.3 mt -59.38 -52.65 64.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 74.12 109.331 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -56.74 -51.67 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 71.4 110.939 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -47.35 -45.62 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.02 111.007 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.17 99.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 65.51 109.642 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' 2074 ' ' TYR . 2.2 t -62.62 -58.26 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.067 . . . . 63.11 109.28 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2108 ' ' PHE . . . . . 0.854 ' CG ' HD12 ' A' 2031 ' ' LEU . 52.3 m-85 -63.97 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 73.01 111.005 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -77.06 -43.56 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 72.45 110.3 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -52.18 66.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 71.3 110.308 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.563 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 23.6 pt -44.02 -31.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 72.54 109.311 179.921 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 35.6 m -83.47 -50.06 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 64.52 110.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.31 109.269 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2022 ' ' LEU . . . . . 0.711 HD22 ' HB2' ' A' 2025 ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 109.251 -0.648 . . . . 64.31 109.251 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2023 ' ' TRP . . . . . 0.552 ' HB3' ' HE1' ' A' 2058 ' ' MET . 18.9 m0 -79.74 -46.47 16.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 72.2 108.016 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -48.51 -23.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.31 109.554 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2025 ' ' GLU . . . . . 0.711 ' HB2' HD22 ' A' 2022 ' ' LEU . 5.6 tp10 -65.62 -33.23 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 64.03 110.242 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2026 ' ' MET . . . . . 0.791 ' HB2' HD22 ' A' 2054 ' ' LEU . 0.4 OUTLIER -78.83 -35.91 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 70.31 110.855 -179.833 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2027 ' ' TRP . . . . . 0.567 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 64.0 m95 -67.64 -39.79 84.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 75.12 107.944 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -59.33 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.088 . . . . 75.02 109.594 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2029 ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -62.76 -36.4 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 64.33 110.338 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2030 ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.14 -64.66 3.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 65.41 111.019 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2031 ' ' LEU . . . . . 1.095 HD22 ' CD2' ' A' 2108 ' ' PHE . 2.4 tp -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 74.54 109.344 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -55.58 -52.32 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 74.32 110.213 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2033 ' ' GLU . . . . . 0.403 ' HA ' ' HB2' ' A' 2036 ' ' ARG . 0.0 OUTLIER -73.27 -52.11 15.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 75.43 110.259 -179.88 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2034 ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.97 -50.74 65.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 24.31 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2035 ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.2 p -67.35 -32.18 72.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 62.21 110.045 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2036 ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' 2033 ' ' GLU . 0.5 OUTLIER -60.59 -52.62 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 75.02 110.316 -179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2037 ' ' LEU . . . . . 0.573 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.3 pp -72.26 -40.72 67.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 71.04 109.341 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2038 ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' 2101 ' ' TRP . 38.9 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 72.33 111.088 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2043 ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.0 m-20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.191 -0.67 . . . . 63.23 109.191 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2044 ' ' VAL . . . . . 0.534 ' CG1' ' CE1' ' A' 2048 ' ' PHE . 3.1 t -83.1 -28.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 60.52 109.332 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2045 ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -55.5 -34.27 64.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 42.14 109.315 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2046 ' ' GLY . . . . . 0.764 ' O ' HG23 ' A' 2050 ' ' VAL . . . -50.32 -52.32 28.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.579 1.174 . . . . 74.13 111.072 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2047 ' ' MET . . . . . 0.596 ' HE2' ' CD1' ' A' 2048 ' ' PHE . 26.2 ttp -67.75 -54.99 14.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 52.24 111.043 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2048 ' ' PHE . . . . . 0.596 ' CD1' ' HE2' ' A' 2047 ' ' MET . 22.4 m-85 -52.66 -49.52 65.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 74.33 111.01 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2049 ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -67.02 -17.61 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.14 110.38 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2050 ' ' VAL . . . . . 0.781 HG12 HD23 ' A' 2051 ' ' LEU . 2.9 t -84.79 -44.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 72.21 109.321 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2051 ' ' LEU . . . . . 0.807 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -78.19 -42.1 32.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 73.42 109.26 -179.903 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2052 ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.9 OUTLIER -37.24 -54.24 2.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 71.23 110.328 179.917 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.398 1.736 . . . . 75.52 110.996 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2054 ' ' LEU . . . . . 0.791 HD22 ' HB2' ' A' 2026 ' ' MET . 36.8 mt -49.0 -56.42 9.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 74.33 109.341 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2055 ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' 2051 ' ' LEU . 34.3 m170 -59.74 -50.68 72.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 75.02 109.638 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2056 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.43 -50.66 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 52.11 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2057 ' ' MET . . . . . 0.478 ' HE2' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -50.42 -39.19 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 74.53 110.938 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2058 ' ' MET . . . . . 0.758 ' HE3' ' SD ' ' A' 2026 ' ' MET . 0.1 OUTLIER -66.93 -35.32 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.14 111.044 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2059 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.2 mm-40 -74.16 -63.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.11 110.308 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2060 ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.4 ptt85 -72.38 -8.84 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 65.12 110.213 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2061 ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -129.62 62.75 0.64 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.167 . . . . 70.52 110.954 -179.889 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2062 ' ' PRO . . . . . 0.438 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.96 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 74.13 111.012 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2063 ' ' GLN . . . . . 0.482 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -132.96 -68.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 63.14 110.262 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.38 164.65 4.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 61.34 110.319 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2065 ' ' LEU . . . . . 0.606 ' O ' HD13 ' A' 2065 ' ' LEU . 0.3 OUTLIER -49.55 -27.98 5.05 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 73.44 109.332 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -42.81 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.628 1.205 . . . . 70.34 109.278 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2067 ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 18.9 tp10 -75.65 -22.12 57.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 64.43 110.373 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 20.2 m -54.47 -27.11 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 74.53 110.372 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.4 m -53.98 -43.71 70.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 72.35 109.983 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2070 ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' 2071 ' ' ASN . 0.7 OUTLIER -69.81 -53.83 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.33 111.038 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2071 ' ' ASN . . . . . 0.515 ' N ' ' CD1' ' A' 2070 ' ' PHE . 60.8 t-20 -48.63 -36.22 15.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 25.13 109.263 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -78.74 -45.35 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 72.01 110.273 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -44.37 -34.75 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 50.3 109.271 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2074 ' ' TYR . . . . . 0.951 ' OH ' HG23 ' A' 2111 ' ' ILE . 71.0 m-85 -108.55 -27.45 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 71.22 110.961 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -41.71 -26.53 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.575 1.172 . . . . 50.3 110.987 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2076 ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.3 OUTLIER -80.57 -46.6 15.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 64.21 110.314 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2077 ' ' ASP . . . . . 0.469 ' HB2' ' CG2' ' A' 2107 ' ' VAL . 9.3 m-20 -66.13 -50.68 63.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 42.04 109.379 179.893 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2078 ' ' LEU . . . . . 0.763 HD13 ' HB3' ' A' 2074 ' ' TYR . 11.1 mp -54.54 -40.76 68.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 74.23 109.238 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2079 ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.1 OUTLIER -58.38 -49.48 77.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 64.45 111.06 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.22 -48.99 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 70.42 110.359 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2081 ' ' ALA . . . . . 0.599 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -58.14 -43.92 87.54 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.55 1.156 . . . . 63.33 109.196 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2082 ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -64.53 -32.2 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 74.14 110.355 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -35.29 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.317 1.011 . . . . 74.23 110.277 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2084 ' ' TRP . . . . . 0.729 ' CB ' ' HB2' ' A' 2100 ' ' ALA . 89.1 m95 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.876 -1.157 . . . . 72.5 107.876 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2085 ' ' CYS . . . . . 0.424 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 0.9 OUTLIER -68.61 -51.59 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.344 1.027 . . . . 74.33 108.272 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -46.89 87.17 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.52 1.137 . . . . 72.34 110.306 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2087 ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -57.71 -39.11 76.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 63.42 109.22 -179.917 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2088 ' ' TYR . . . . . 0.815 ' CZ ' HD12 ' A' 2097 ' ' LEU . 1.5 t80 -71.15 -40.22 71.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.15 110.995 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -39.05 83.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 63.15 110.989 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.93 -53.8 4.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.4 109.241 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2091 ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.4 t -65.33 -67.21 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 72.24 109.98 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2092 ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 98.16 90.96 1.95 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.449 1.093 . . . . 75.42 110.918 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.53 108.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 0.836 . . . . 72.14 109.312 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 5.9 t -45.94 -41.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 72.13 109.277 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -49.67 -42.21 44.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.631 1.207 . . . . 73.44 109.253 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -69.92 -40.68 75.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 52.15 109.309 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.815 HD12 ' CZ ' ' A' 2088 ' ' TYR . 0.3 OUTLIER -63.37 -43.62 97.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 61.01 109.267 -179.905 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -46.05 92.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 54.42 110.397 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.68 -43.75 97.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 72.34 110.323 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2100 ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' 2084 ' ' TRP . . . -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 61.2 109.359 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2101 ' ' TRP . . . . . 0.56 ' CD1' ' CZ ' ' A' 2038 ' ' TYR . 0.4 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 65.31 107.986 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -49.72 61.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 63.41 109.31 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2103 ' ' LEU . . . . . 0.599 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 25.0 mt -54.0 -51.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 55.03 109.29 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.72 -45.66 89.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 73.11 110.893 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2105 ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -50.45 -47.93 56.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 60.33 111.002 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -45.21 95.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 72.32 109.601 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2107 ' ' VAL . . . . . 0.833 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.4 t -57.21 -55.78 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 62.52 109.256 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2108 ' ' PHE . . . . . 1.095 ' CD2' HD22 ' A' 2031 ' ' LEU . 8.2 m-85 -65.75 -27.39 68.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.371 1.044 . . . . 74.31 110.971 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 2109 ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 0.1 OUTLIER -74.03 -24.54 59.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 74.4 110.3 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.37 -50.25 12.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.598 1.186 . . . . 75.02 110.322 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2111 ' ' ILE . . . . . 0.951 HG23 ' OH ' ' A' 2074 ' ' TYR . 0.6 OUTLIER -60.09 -26.75 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 73.3 109.3 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 18.0 t -82.2 -51.72 7.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.634 1.209 . . . . 72.31 110.047 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 74.14 109.376 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.464 0.173 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -112.45 -23.26 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 3.3 mm? 60.94 16.02 6.58 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 2.4 mt -101.73 143.06 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.03 136.0 41.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.793 HG11 HD13 ' A' 2022 ' ' LEU . 53.0 t -107.0 142.12 24.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.607 1.192 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.0 Cg_endo -75.02 -57.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.496 ' O ' HD12 ' A' 2021 ' ' ILE . 1.6 pp -97.21 90.91 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.793 HD13 HG11 ' A' 2019 ' ' VAL . 0.8 OUTLIER -154.14 -160.09 1.05 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.59 1.181 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.62 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.4 m0 -71.62 -52.86 15.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.035 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.719 ' CD2' ' CZ ' ' A' 2070 ' ' PHE . 3.8 m170 -47.71 -23.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' 2029 ' ' GLU . 1.3 tt0 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.577 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -76.64 -30.87 57.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.703 ' CH2' HD11 ' A' 2078 ' ' LEU . 61.5 m95 -70.35 -51.06 32.69 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 108.089 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -59.35 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.2 OUTLIER -63.62 -36.0 82.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -60.38 -63.9 4.61 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2031 ' ' LEU . . . . . 0.999 HD22 ' CG ' ' A' 2108 ' ' PHE . 7.1 tp -61.17 -34.99 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 0.807 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -45.83 70.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -72.26 -50.31 28.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' A' 2047 ' ' MET . . . -52.13 -49.56 63.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' 2038 ' ' TYR . 0.2 OUTLIER -64.52 -51.69 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -48.71 59.4 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.974 HD12 ' N ' ' A' 2038 ' ' TYR . 2.4 pp -71.43 -42.01 68.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.974 ' N ' HD12 ' A' 2037 ' ' LEU . 17.0 t80 -53.02 -56.54 15.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2039 ' ' PHE . . . . . 0.404 ' CD1' ' CD2' ' A' 2038 ' ' TYR . 25.8 m-85 -70.55 -29.1 65.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -46.67 -68.92 0.96 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' 2042 ' ' ARG . 7.1 pt-20 -130.41 46.82 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' 2041 ' ' GLU . 0.8 OUTLIER 35.96 37.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -103.85 95.97 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.992 HG11 HD21 ' A' 2097 ' ' LEU . 3.1 m -74.39 -15.41 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -51.1 40.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.673 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.32 -48.81 62.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.486 ' SD ' ' NE1' ' A' 2101 ' ' TRP . 34.8 ttp -52.83 -48.88 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.962 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.502 ' CG ' ' HE3' ' A' 2089 ' ' MET . 23.0 m-85 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.562 ' O ' ' CD ' ' A' 2053 ' ' PRO . 38.8 mt-10 -75.91 -14.47 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' 2046 ' ' GLY . 27.1 t -84.46 -45.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.27 34.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.494 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.2 OUTLIER -35.51 -56.66 1.01 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.562 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.1 Cg_endo -74.97 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.82 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.577 HD22 ' SD ' ' A' 2026 ' ' MET . 18.5 mt -49.01 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' 2051 ' ' LEU . 55.9 m170 -58.78 -52.41 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.609 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.11 -50.26 59.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.535 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.09 -38.64 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.62 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 5.4 mmt -70.73 -29.94 66.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' 2055 ' ' HIS . 3.2 mt-10 -77.65 -63.53 1.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.1 ptt180 -73.12 -21.59 60.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.41 84.9 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.525 1.803 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -143.63 -78.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.247 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.9 t -164.4 174.08 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -30.97 66.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -33.61 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.52 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 4.0 mm-40 -86.94 -20.64 27.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 10.5 m -54.41 -38.46 66.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 58.1 m -66.09 -33.85 76.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.9 ' CZ ' HG22 ' A' 2111 ' ' ILE . 1.7 t80 -65.73 -54.13 31.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' 2075 ' ' GLY . 28.8 t-20 -61.81 -29.48 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -78.63 -42.47 28.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.66 -45.08 57.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.605 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 34.1 m-85 -99.01 -16.66 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.07 -44.21 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.657 1.223 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -40.2 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -58.94 -60.27 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.703 HD11 ' CH2' ' A' 2027 ' ' TRP . 5.4 mt -52.7 -40.71 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 37.6 ttm -54.65 -46.06 73.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.66 -58.99 4.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.78 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -54.86 -40.27 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2082 ' ' GLN . . . . . 0.4 ' O ' ' HD3' ' A' 2086 ' ' ARG . 3.7 tt0 -58.0 -41.32 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.44 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.574 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.2 m95 -66.87 -28.77 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.481 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.5 OUTLIER -71.41 -58.32 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' 2082 ' ' GLN . 12.7 mtp180 -55.34 -39.92 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.574 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -65.5 -38.14 88.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.576 ' CZ ' HD22 ' A' 2097 ' ' LEU . 0.9 OUTLIER -71.13 -46.9 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.502 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 0.8 OUTLIER -59.93 -35.77 75.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -84.99 -55.92 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' 2087 ' ' LYS . 11.1 t -69.33 -68.42 0.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.2 91.78 2.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.075 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.3 t30 -159.81 120.89 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -56.62 -41.0 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -49.49 -48.38 47.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.7 -37.82 85.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.992 HD21 HG11 ' A' 2044 ' ' VAL . 4.4 tp -64.14 -44.34 92.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 8.8 m -61.1 -43.81 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -42.68 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.87 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.486 ' NE1' ' SD ' ' A' 2047 ' ' MET . 2.2 m95 -69.32 -30.51 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.33 -50.78 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.78 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 13.1 mt -55.0 -50.4 69.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' 2107 ' ' VAL . 7.2 m-85 -54.36 -54.95 33.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.98 -37.97 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -62.31 -48.62 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -69.53 -49.64 57.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.999 ' CG ' HD22 ' A' 2031 ' ' LEU . 17.6 m-85 -62.07 -30.05 70.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 38.9 ttm180 -74.48 -37.19 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -63.9 -51.42 64.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.9 HG22 ' CZ ' ' A' 2070 ' ' PHE . 19.8 pt -48.75 -33.68 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 4.1 p -86.02 -50.41 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 7.8 tttt -51.34 128.76 23.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 6.5 tpp . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.457 0.17 . . . . 75.3 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -111.99 0.2 15.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 74.14 110.329 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.631 HD12 ' H ' ' A' 2017 ' ' ILE . 0.0 OUTLIER -102.99 -142.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 64.33 109.225 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.631 ' H ' HD12 ' A' 2016 ' ' LEU . 2.5 mp -33.23 138.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.629 1.206 . . . . 74.25 109.339 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.84 138.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 64.13 110.203 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.401 ' H ' HG12 ' A' 2019 ' ' VAL . 1.8 p -62.76 130.71 93.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 60.25 109.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.605 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.4 Cg_endo -74.91 -34.89 3.59 Favored 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.532 1.806 . . . . 72.34 111.092 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.605 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -106.69 94.0 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 75.53 109.27 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.1 OUTLIER -178.54 148.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 71.34 109.268 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.511 ' CD2' ' OE1' ' A' 2067 ' ' GLU . 8.6 m0 -49.57 -51.64 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.022 -1.103 . . . . 72.45 108.022 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 4.6 m80 -47.31 -24.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 64.2 109.626 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.6 tm-20 -66.95 -34.8 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 70.1 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.694 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -77.15 -32.91 56.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 73.51 110.987 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.829 ' HH2' HD11 ' A' 2078 ' ' LEU . 67.6 m95 -64.83 -47.38 78.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.44 108.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -58.5 6.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 74.33 109.653 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -57.56 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 73.3 110.29 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' 2029 ' ' GLU . . . -58.44 -63.62 5.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 64.11 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2031 ' ' LEU . . . . . 0.929 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.5 mt -60.44 -29.81 69.25 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.592 0.819 . . . . 74.4 109.294 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -54.2 -51.26 64.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.382 1.051 . . . . 73.15 110.239 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -79.4 -47.88 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 72.22 110.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.95 -44.33 74.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 35.34 109.312 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.1 m -73.33 -45.94 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 73.03 109.957 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -51.75 -51.06 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 73.54 110.315 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.484 ' CD2' ' HA3' ' A' 2046 ' ' GLY . 2.8 pp -68.11 -39.08 82.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.51 109.335 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.725 ' HD1' HG12 ' A' 2044 ' ' VAL . 66.3 t80 -60.82 -54.18 48.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.13 110.971 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -74.93 -42.97 56.67 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.508 1.13 . . . . 73.24 110.964 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -65.74 -41.03 95.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.424 1.077 . . . . 62.15 111.116 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' 2038 ' ' TYR . 1.5 mm-40 -112.26 -166.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.609 0.829 . . . . 75.44 110.38 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.21 20.45 6.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.594 1.184 . . . . 55.12 110.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -115.29 99.29 7.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 64.11 109.282 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.864 HG11 HD21 ' A' 2097 ' ' LEU . 21.4 m -68.46 -12.59 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 75.34 109.373 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.42 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 75.04 109.382 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.648 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.97 -54.34 38.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 62.43 110.987 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.534 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 6.1 tmm? -54.74 -40.73 69.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 73.23 111.089 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' 2052 ' ' GLU . 11.9 m-85 -67.12 -39.28 86.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 75.51 111.037 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.567 ' O ' ' CD ' ' A' 2053 ' ' PRO . 72.4 mt-10 -76.56 -13.69 60.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.611 1.194 . . . . 74.42 110.247 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' 2046 ' ' GLY . 25.1 t -84.15 -45.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 64.11 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.64 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.96 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 73.43 109.284 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.85 -56.28 0.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.138 . . . . 73.21 110.359 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.567 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.95 -51.09 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.466 1.772 . . . . 64.42 111.002 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.668 HD22 ' SD ' ' A' 2026 ' ' MET . 46.0 mt -49.14 -56.38 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 74.4 109.388 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.604 ' CD2' ' HB3' ' A' 2051 ' ' LEU . 5.6 m-70 -58.55 -52.96 63.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.388 1.055 . . . . 71.3 109.67 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.79 -46.8 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 70.34 109.283 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.476 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.73 -40.19 59.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 53.52 110.847 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.694 ' HE3' ' CE ' ' A' 2026 ' ' MET . 1.0 OUTLIER -70.09 -31.93 69.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.11 111.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.4 mm-40 -72.05 -63.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 65.3 110.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.06 -19.39 60.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 72.04 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.97 80.96 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 52.12 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.15 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 62.34 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.493 ' CG ' HG22 ' A' 2064 ' ' THR . 5.2 tp60 -142.86 -74.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 72.25 110.363 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.493 HG22 ' CG ' ' A' 2063 ' ' GLN . 0.0 OUTLIER -164.35 163.61 22.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.12 110.373 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.6 OUTLIER -51.16 -27.7 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.4 109.328 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.08 64.17 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.063 . . . . 65.51 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.511 ' OE1' ' CD2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -78.74 -19.82 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 72.3 110.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' 2064 ' ' THR . 2.2 m -54.16 -27.17 31.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 74.12 110.391 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -35.99 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 62.2 110.01 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.652 ' HE2' HG22 ' A' 2111 ' ' ILE . 60.2 t80 -65.51 -53.23 45.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.13 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.524 ' O ' ' CA ' ' A' 2075 ' ' GLY . 49.2 t30 -64.17 -28.99 70.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 61.52 109.337 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -78.7 -51.96 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 64.44 110.317 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.91 -49.37 5.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.14 . . . . 74.55 109.323 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.601 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.6 m-85 -96.24 -14.4 22.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 73.02 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.07 -40.03 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.546 1.154 . . . . 75.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -79.06 -53.08 7.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 0.795 . . . . 75.04 110.272 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -51.6 -55.16 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 75.32 109.234 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.829 HD11 ' HH2' ' A' 2027 ' ' TRP . 43.4 mt -52.36 -37.36 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 65.35 109.271 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -47.53 85.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.13 111.035 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.0 tt0 -62.41 -53.66 51.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 62.02 110.332 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.438 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.43 -39.29 64.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.373 1.046 . . . . 44.54 109.301 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 74.21 110.352 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -39.66 93.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 75.22 110.329 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.9 m95 -71.02 -31.61 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.15 108.055 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 94.6 m -61.61 -51.11 69.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.44 108.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.84 98.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 74.3 110.363 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' 2092 ' ' GLY . 4.2 mtpp -52.06 -50.45 61.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 73.44 109.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2088 ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.07 -44.49 69.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 52.43 111.003 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -49.4 77.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 73.41 111.047 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -59.51 4.8 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.438 1.086 . . . . 70.34 109.202 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.03 61.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 62.31 110.061 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2087 ' ' LYS . . . -102.23 -139.87 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 72.11 111.054 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.17 158.87 44.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 60.13 109.394 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -40.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 54.22 109.333 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.0 tttm -49.35 -44.61 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 73.23 109.246 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.4 -36.07 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 65.24 109.35 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.864 HD21 HG11 ' A' 2044 ' ' VAL . 1.5 tp -64.12 -48.62 75.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 74.54 109.25 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.5 m -61.05 -41.42 96.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 74.04 110.408 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -49.09 77.54 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.638 1.211 . . . . 72.11 110.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.46 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.44 109.371 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.69 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -58.55 -40.05 81.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 73.23 107.986 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -51.04 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 71.14 109.22 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' 2107 ' ' VAL . 5.2 mp -54.76 -54.05 47.12 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.146 . . . . 74.34 109.315 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.495 ' O ' HG22 ' A' 2107 ' ' VAL . 14.8 m-85 -55.18 -54.82 38.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 74.03 110.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.07 -36.99 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 75.5 111.118 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 73.14 109.582 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.601 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.0 OUTLIER -66.32 -44.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 72.22 109.275 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.929 ' CG ' HD11 ' A' 2031 ' ' LEU . 13.0 m-85 -65.71 -29.74 70.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 75.02 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.0 ttt180 -75.9 -30.81 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 75.43 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2110 ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' 2112 ' ' SER . 0.1 OUTLIER -72.56 -51.62 19.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 60.14 110.308 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.652 HG22 ' HE2' ' A' 2070 ' ' PHE . 14.9 pt -42.89 -27.96 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 74.44 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2112 ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' 2114 ' ' GLN . 0.6 OUTLIER -93.85 -51.41 4.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 71.03 109.982 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 4.8 tptt -39.99 -30.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.494 1.121 . . . . 71.44 109.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2114 ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' 2112 ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.177 . . . . 75.22 110.307 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.586 0.231 . . . . 75.1 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.65 -25.72 13.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 54.31 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.9 -161.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 64.41 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.708 HG22 ' N ' ' A' 2018 ' ' ARG . 1.6 mp -46.72 -86.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 73.03 109.34 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.708 ' N ' HG22 ' A' 2017 ' ' ILE . 0.2 OUTLIER -100.25 73.68 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 63.32 110.243 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' A' 2020 ' ' PRO . 0.9 OUTLIER -52.9 135.64 47.15 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 65.31 109.255 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.509 ' HG2' HD13 ' A' 2021 ' ' ILE . 17.9 Cg_endo -74.98 -30.19 7.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.442 1.759 . . . . 33.31 110.992 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.509 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -100.3 93.14 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 64.14 109.321 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -166.35 -159.98 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 73.22 109.296 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.599 ' NE1' ' NE2' ' A' 2063 ' ' GLN . 10.6 m0 -66.64 -50.91 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.15 . . . . 73.44 107.942 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.29 -22.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 65.35 109.619 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' 2023 ' ' TRP . 3.2 tt0 -75.1 -35.13 61.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 75.22 110.207 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.99 -31.4 66.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 71.34 110.93 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.793 ' HH2' HD11 ' A' 2078 ' ' LEU . 70.6 m95 -74.43 -51.36 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.014 -1.106 . . . . 73.3 108.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -55.87 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 71.21 109.606 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 7.4 pt-20 -69.36 -37.18 77.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 74.24 110.306 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -57.28 -65.14 3.78 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.101 . . . . 64.24 110.993 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.152 HD22 ' CG ' ' A' 2108 ' ' PHE . 2.6 tp -60.47 -33.4 72.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 72.24 109.35 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 6.8 mm-40 -53.05 -47.4 68.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.32 110.274 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.2 -51.09 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 63.12 110.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.494 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -51.15 -45.57 61.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 54.13 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' 2038 ' ' TYR . 90.2 p -66.27 -48.65 69.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 75.23 110.001 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' 2032 ' ' GLU . 3.2 tpt180 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 72.25 110.322 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.723 HD22 ' HA3' ' A' 2046 ' ' GLY . 4.6 pp -70.93 -40.61 71.97 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.566 1.166 . . . . 55.34 109.285 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.687 ' N ' HD12 ' A' 2037 ' ' LEU . 11.3 t80 -53.98 -56.18 20.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 75.33 111.066 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -73.34 -29.33 62.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.669 1.231 . . . . 74.32 111.036 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -47.18 -69.49 0.88 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.465 1.103 . . . . 62.3 111.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' 2042 ' ' ARG . 0.1 OUTLIER -136.68 53.14 1.92 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 0.805 . . . . 61.33 110.301 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' 2041 ' ' GLU . 6.7 tpt180 33.64 39.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 72.42 110.226 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' 2041 ' ' GLU . 13.5 m-20 -106.66 87.52 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 43.22 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.816 HG21 HD11 ' A' 2097 ' ' LEU . 3.3 m -71.88 -11.42 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 61.33 109.218 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -50.27 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.13 109.357 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.723 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -53.6 -50.07 55.03 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 31.23 111.044 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.598 ' H ' HD11 ' A' 2037 ' ' LEU . 35.8 ttp -51.75 -56.86 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 0.718 . . . . 71.54 111.036 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.654 ' CD2' ' CE ' ' A' 2089 ' ' MET . 17.2 m-85 -49.29 -41.66 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.24 111.052 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.533 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.8 mt-10 -76.94 -15.85 59.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 71.55 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.837 ' O ' HD22 ' A' 2054 ' ' LEU . 5.1 t -85.6 -43.9 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.414 1.071 . . . . 75.55 109.274 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -76.97 -44.26 31.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 72.34 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -36.82 -54.67 1.69 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.348 1.03 . . . . 60.32 110.286 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.587 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.06 -51.92 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.432 1.753 . . . . 70.24 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.837 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -47.93 -55.57 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 74.03 109.159 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 3.3 m-70 -60.97 -53.29 59.11 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 73.53 109.545 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.66 -51.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 73.31 109.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.48 -38.47 44.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 55.24 111.026 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.573 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -67.7 -32.42 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 73.22 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.9 mm-40 -77.52 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 70.54 110.325 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -70.35 -18.55 63.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.41 110.274 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.73 77.84 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 42.13 111.087 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 70.13 110.941 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.599 ' NE2' ' NE1' ' A' 2023 ' ' TRP . 0.0 OUTLIER -143.62 -64.55 0.38 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.521 1.138 . . . . 75.43 110.348 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.492 HG23 ' HB2' ' A' 2066 ' ' LYS . 3.7 t -178.0 175.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 62.55 110.423 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.404 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -55.03 -29.27 57.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 73.41 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2066 ' ' LYS . . . . . 0.492 ' HB2' HG23 ' A' 2064 ' ' THR . 12.5 mttp -66.98 -39.98 87.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 74.42 109.25 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.492 ' CD ' ' CH2' ' A' 2023 ' ' TRP . 1.4 tm-20 -82.98 -20.64 34.76 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 74.01 110.267 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 12.0 m -54.44 -28.62 45.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 61.41 110.485 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -37.05 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 70.21 110.095 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.573 ' CE2' HG22 ' A' 2111 ' ' ILE . 9.7 t80 -64.79 -50.42 66.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 74.25 111.024 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 58.3 t30 -65.16 -29.04 69.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 72.11 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -78.42 -54.0 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 61.23 110.232 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.98 -48.98 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 73.51 109.187 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.57 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 15.1 m-85 -94.25 -15.64 24.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 74.52 111.085 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.67 -49.66 1.88 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 74.41 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -48.08 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 0.836 . . . . 60.41 110.288 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.52 -58.69 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 55.41 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.793 HD11 ' HH2' ' A' 2027 ' ' TRP . 55.5 mt -52.57 -42.29 64.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.33 109.26 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.9 mtp -56.04 -44.47 78.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.465 1.103 . . . . 53.11 110.969 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.0 tt0 -66.41 -57.09 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 45.42 110.224 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.36 -41.66 63.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.34 109.264 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2082 ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' 2085 ' ' CYS . 2.5 tp60 -59.7 -43.38 94.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.11 110.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.14 79.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 72.34 110.269 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.459 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.1 m95 -70.43 -33.4 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.927 -1.138 . . . . 72.14 107.927 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' 2082 ' ' GLN . 6.6 t -61.12 -48.08 83.27 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 60.42 108.344 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -61.81 -43.59 98.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 72.25 110.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.17 -43.77 67.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 53.04 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.66 ' CE2' HD12 ' A' 2097 ' ' LEU . 5.7 t80 -72.72 -53.04 12.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 54.42 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.654 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.4 OUTLIER -46.48 -29.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 74.22 111.027 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -56.15 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 61.22 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -160.96 55.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 63.43 110.031 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 55.29 163.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 73.03 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2093 ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' 2092 ' ' GLY . 1.4 m-20 162.14 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 74.41 109.291 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -48.94 -36.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 63.51 109.215 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 7.3 tttt -53.53 -50.87 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 70.01 109.288 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.87 -39.62 76.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 51.41 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.816 HD11 HG21 ' A' 2044 ' ' VAL . 0.5 OUTLIER -59.31 -48.49 81.43 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.417 1.073 . . . . 43.41 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.6 m -60.86 -42.51 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 74.35 110.338 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.446 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.1 OUTLIER -63.69 -46.06 87.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 63.31 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -64.23 -49.02 73.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 72.54 109.331 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.599 ' HD1' HD22 ' A' 2097 ' ' LEU . 2.5 m95 -56.33 -36.8 69.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.001 -1.111 . . . . 75.55 108.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.6 -50.75 70.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.646 ' O ' HG13 ' A' 2107 ' ' VAL . 5.8 mp -54.53 -53.32 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 72.53 109.283 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.418 ' O ' HG22 ' A' 2107 ' ' VAL . 11.9 m-85 -54.1 -56.65 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 74.43 110.978 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.48 -37.65 17.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 62.52 110.98 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2106 ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.4 OUTLIER -62.56 -44.31 96.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 75.23 109.619 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -77.78 -38.86 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 72.44 109.247 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.152 ' CG ' HD22 ' A' 2031 ' ' LEU . 8.9 m-85 -68.71 -33.14 73.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 72.43 110.937 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' 2105 ' ' TYR . 8.7 ptm180 -80.04 -33.67 38.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.659 1.224 . . . . 75.51 110.261 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2110 ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -64.44 -51.38 63.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.533 1.145 . . . . 72.42 110.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.586 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 10.2 pt -44.27 -28.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 73.14 109.247 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 28.8 t -95.21 -55.48 3.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.071 . . . . 71.32 109.964 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -40.9 148.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 73.34 109.305 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.583 1.177 . . . . 64.33 110.233 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.523 0.202 . . . . 74.51 111.027 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -15.55 19.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 73.41 110.289 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' 2016 ' ' LEU . 1.5 mm? 60.97 118.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.181 . . . . 74.21 109.316 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 1.7 tt -56.25 175.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 70.15 109.343 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' 2112 ' ' SER . 5.1 mtm180 -147.18 172.91 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 73.51 110.29 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 6.8 t -95.14 133.6 25.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 71.12 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.483 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.1 Cg_endo -75.04 -26.9 10.41 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.428 1.752 . . . . 51.54 110.968 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.578 ' O ' HD23 ' A' 2022 ' ' LEU . 0.1 OUTLIER -115.46 95.92 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 73.13 109.252 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER 179.77 -170.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 62.21 109.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.591 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -77.17 -51.83 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 72.24 107.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.0 m80 -47.26 -22.47 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 74.33 109.586 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' 2020 ' ' PRO . 31.5 tp10 -73.12 -35.36 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 60.21 110.335 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.527 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.2 OUTLIER -72.79 -31.72 65.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 34.04 110.978 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.826 ' HH2' HD11 ' A' 2078 ' ' LEU . 68.7 m95 -72.9 -50.21 25.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.043 -1.095 . . . . 72.41 108.043 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -54.5 -58.99 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 72.22 109.616 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -69.27 -30.58 68.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.59 1.181 . . . . 55.32 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' 2026 ' ' MET . . . -62.39 -63.57 4.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 62.51 110.974 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.103 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.9 tp -60.51 -33.65 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 72.13 109.36 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.34 -53.89 47.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.13 110.265 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.26 -50.42 47.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 70.24 110.36 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.802 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -53.07 -48.39 67.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 42.43 109.326 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 33.6 t -57.28 -47.39 81.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 74.15 110.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.1 OUTLIER -54.44 -37.37 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 73.11 110.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' 2034 ' ' ALA . 1.8 mt -69.96 -35.79 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 63.51 109.367 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' 2041 ' ' GLU . 65.5 t80 -76.93 -54.43 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 72.12 110.996 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -72.27 -46.6 55.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 71.25 111.067 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -56.91 -55.63 29.17 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.523 1.139 . . . . 74.13 110.999 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' 2038 ' ' TYR . 8.5 pm0 -136.61 -175.14 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 0.732 . . . . 51.4 110.33 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.58 36.78 1.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.43 1.081 . . . . 70.35 110.362 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -96.29 79.45 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 62.51 109.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.781 HG12 ' CD2' ' A' 2048 ' ' PHE . 13.6 t -64.74 -10.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.32 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -71.35 -39.68 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 73.24 109.272 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.757 ' O ' HG23 ' A' 2050 ' ' VAL . . . -58.58 -57.41 20.01 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.51 1.132 . . . . 72.24 111.042 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.543 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.51 -43.31 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 43.31 110.993 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.781 ' CD2' HG12 ' A' 2044 ' ' VAL . 1.7 m-85 -69.52 -37.43 77.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.538 1.149 . . . . 75.44 110.999 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 81.4 mt-10 -75.42 -13.54 60.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 74.55 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.928 ' O ' HD22 ' A' 2054 ' ' LEU . 24.5 t -84.95 -44.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 71.35 109.274 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -45.13 32.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 72.23 109.181 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.7 mt-10 -35.78 -55.62 1.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 65.23 110.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.571 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.96 -50.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.4 1.737 . . . . 65.51 110.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.05 -55.25 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 65.45 109.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' 2051 ' ' LEU . 8.1 m-70 -60.67 -51.88 67.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.42 109.624 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.41 -51.51 58.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 72.24 109.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.92 -37.65 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 72.11 110.996 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.591 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -68.1 -32.78 73.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 74.32 110.998 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.49 -63.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 74.33 110.339 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' 2056 ' ' ALA . 2.6 ptm85 -72.54 -12.33 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 74.3 110.27 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -124.96 71.04 0.46 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 53.3 110.949 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.01 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.83 . . . . 65.52 110.972 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.434 ' C ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -144.54 -84.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.53 110.322 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.434 ' CG2' ' C ' ' A' 2063 ' ' GLN . 43.7 p -152.25 -169.18 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 75.2 110.394 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -48.87 -30.76 6.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 70.32 109.152 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -53.27 57.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 73.32 109.322 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.467 ' CG ' ' CH2' ' A' 2023 ' ' TRP . 3.4 tm-20 -58.71 -34.99 71.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 74.35 110.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.0 OUTLIER -55.01 -39.8 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 45.43 110.422 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -39.4 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 62.34 109.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.838 ' CZ ' HG22 ' A' 2111 ' ' ILE . 1.3 t80 -64.83 -53.4 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.22 111.046 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.545 ' O ' ' CA ' ' A' 2075 ' ' GLY . 31.0 t30 -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 75.34 109.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -78.81 -51.22 10.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 73.2 110.26 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.03 -51.54 5.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 63.53 109.237 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.585 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 21.8 m-85 -95.48 -13.42 24.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.6 1.187 . . . . 73.14 110.938 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.545 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.56 -43.71 3.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 54.32 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -46.21 26.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.507 0.769 . . . . 73.13 110.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.91 -59.14 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 70.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.826 HD11 ' HH2' ' A' 2027 ' ' TRP . 9.7 mt -51.91 -39.79 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 73.0 109.287 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 9.4 mmm -57.47 -46.56 83.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 70.44 111.028 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.567 ' HG2' HD21 ' A' 2103 ' ' LEU . 22.7 tt0 -65.36 -58.5 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.4 110.355 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.696 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.9 -41.99 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 72.5 109.298 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.35 84.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.409 1.068 . . . . 63.21 110.296 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -37.48 87.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.129 . . . . 71.3 110.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.57 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 90.9 m95 -65.02 -35.5 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 72.33 108.076 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.0 t -63.51 -57.07 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 75.42 108.262 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -33.54 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 73.44 110.247 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.57 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -71.15 -32.39 68.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 71.13 109.36 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.694 ' CE2' HG11 ' A' 2044 ' ' VAL . 54.9 t80 -79.19 -43.47 23.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 71.12 110.982 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.65 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.6 mtt -65.0 -36.52 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 75.44 110.999 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -58.79 3.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 70.32 109.279 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.37 66.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 74.55 110.059 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.96 15.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 74.31 111.041 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.16 161.81 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 64.34 109.336 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2094 ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' 2095 ' ' LYS . 0.3 OUTLIER -48.39 -43.13 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.625 1.203 . . . . 75.02 109.363 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2095 ' ' LYS . . . . . 0.4 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.9 OUTLIER -49.27 -46.36 46.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 73.32 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2096 ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' 2096 ' ' ASP . 0.5 OUTLIER -66.26 -42.89 87.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 60.13 109.302 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.677 HD22 ' CZ ' ' A' 2088 ' ' TYR . 8.0 tp -60.39 -44.87 95.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 72.43 109.276 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 95.7 m -59.62 -44.13 93.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 72.42 110.453 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.7 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 73.05 110.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.38 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 74.41 109.268 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -32.09 73.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.983 -1.117 . . . . 72.4 107.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -47.67 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 73.43 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.696 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 6.6 mp -54.6 -53.07 59.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 73.22 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.463 ' O ' HG22 ' A' 2107 ' ' VAL . 13.1 m-85 -54.47 -55.06 32.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 71.15 110.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.498 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.8 -37.63 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 75.35 111.001 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -51.41 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.353 1.033 . . . . 60.44 109.64 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -67.71 -48.77 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 74.43 109.263 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.103 ' CG ' HD22 ' A' 2031 ' ' LEU . 13.5 m-85 -61.47 -30.31 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 72.11 110.969 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' 2105 ' ' TYR . 6.1 ttt180 -77.12 -33.41 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 74.33 110.305 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -66.25 -52.28 49.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 75.41 110.338 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.838 HG22 ' CZ ' ' A' 2070 ' ' PHE . 11.2 pt -44.35 -38.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 64.11 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2112 ' ' SER . . . . . 0.472 ' HB3' ' CZ ' ' A' 2018 ' ' ARG . 18.5 p -79.98 -50.59 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 75.13 110.034 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 131.21 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 74.41 109.341 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 74.44 110.299 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.538 0.208 . . . . 64.04 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -17.37 63.46 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.413 1.071 . . . . 43.33 110.361 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' 2017 ' ' ILE . 0.0 OUTLIER 64.34 12.56 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 62.33 109.232 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' 2016 ' ' LEU . 5.0 mp 62.09 138.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.549 1.155 . . . . 73.32 109.211 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 10.7 tpt85 -100.04 113.66 26.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.618 1.199 . . . . 62.31 110.374 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.43 136.11 27.43 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 73.12 109.22 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.3 Cg_endo -74.96 -22.96 14.36 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.78 . . . . 71.02 111.0 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.474 ' O ' ' CD2' ' A' 2022 ' ' LEU . 0.0 OUTLIER -110.8 98.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 75.2 109.229 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -179.72 -158.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.613 1.196 . . . . 71.13 109.337 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.614 ' CG ' ' CE ' ' A' 2058 ' ' MET . 11.5 m0 -63.93 -52.32 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 75.21 107.964 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.7 m80 -45.76 -26.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 74.4 109.643 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2025 ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -71.06 -35.01 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 62.44 110.19 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.557 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.29 -30.87 66.79 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.618 1.199 . . . . 72.5 111.008 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.834 ' HH2' HD11 ' A' 2078 ' ' LEU . 64.3 m95 -72.82 -51.12 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 73.52 108.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -58.8 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 75.04 109.552 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 73.42 110.266 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -58.87 -63.65 5.01 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 52.05 111.003 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.139 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.2 tp -58.98 -33.16 70.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.807 . . . . 60.23 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -53.68 48.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 64.22 110.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -68.64 -50.94 47.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.4 110.348 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -51.55 -49.13 62.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 74.45 109.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 14.6 p -61.44 -38.16 86.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 74.21 109.982 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.1 OUTLIER -60.63 -35.15 75.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.16 . . . . 73.34 110.251 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.779 HD13 ' HA3' ' A' 2046 ' ' GLY . 1.4 mt -70.57 -47.51 59.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 70.02 109.285 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 47.9 t80 -58.86 -55.55 33.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 75.4 111.076 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.79 -45.49 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 75.43 111.036 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -52.54 -64.87 3.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.56 1.163 . . . . 53.44 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.51 -162.89 1.23 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.43 0.723 . . . . 74.4 110.371 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.454 ' HD3' ' C ' ' A' 2042 ' ' ARG . 0.0 OUTLIER -108.89 29.76 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 75.22 110.272 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.456 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 15.0 m-20 -102.48 83.53 2.31 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.563 1.165 . . . . 71.21 109.287 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.698 HG12 ' CD2' ' A' 2048 ' ' PHE . 40.7 t -63.55 -19.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 64.34 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.92 -35.73 34.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 61.25 109.352 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.811 ' O ' HG23 ' A' 2050 ' ' VAL . . . -59.01 -49.46 78.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.476 1.11 . . . . 10.1 110.967 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.613 ' O ' HD22 ' A' 2051 ' ' LEU . 10.3 tmm? -62.87 -41.75 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.13 111.019 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.698 ' CD2' HG12 ' A' 2044 ' ' VAL . 9.9 m-85 -72.95 -39.34 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 62.42 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -75.57 -14.2 60.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 74.4 110.449 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.925 ' O ' HD22 ' A' 2054 ' ' LEU . 5.4 t -85.05 -43.49 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 74.22 109.257 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.652 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.64 -46.95 23.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.32 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.3 mm-40 -34.53 -54.65 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 70.11 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.05 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 75.2 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.925 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.41 -55.88 9.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.415 1.072 . . . . 62.31 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 61.4 m170 -60.43 -53.09 61.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 73.03 109.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.37 -51.38 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 54.1 109.375 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.534 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.77 -39.06 51.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 65.35 110.957 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.614 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 1.3 mmt -67.4 -31.93 72.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 65.43 111.018 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.1 mm-40 -77.43 -64.74 1.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.446 1.091 . . . . 64.23 110.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' 2056 ' ' ALA . 10.0 ptm180 -70.08 -21.4 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.14 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.534 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.8 0.3 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 73.31 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.361 1.716 . . . . 75.2 110.909 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' 2064 ' ' THR . 0.8 OUTLIER -143.49 -78.12 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 64.41 110.338 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.566 HG23 ' O ' ' A' 2063 ' ' GLN . 17.0 p -157.63 -176.4 5.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.501 1.125 . . . . 74.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -27.88 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 72.41 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.2 mptt -71.65 -42.96 66.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 71.25 109.388 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.446 ' CB ' ' HB2' ' A' 2063 ' ' GLN . 0.2 OUTLIER -74.77 -19.8 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 74.23 110.312 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -61.42 -38.68 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 44.5 110.447 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 13.6 m -73.84 -29.93 62.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 64.23 110.073 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.448 ' O ' ' CD2' ' A' 2074 ' ' TYR . 5.4 t80 -68.72 -53.33 22.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 71.34 111.018 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.08 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 72.11 109.365 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -78.02 -43.41 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 61.42 110.32 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.06 14.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.21 109.287 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.566 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.1 m-85 -88.37 -23.46 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.2 110.927 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -36.31 -35.25 0.1 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.534 1.146 . . . . 60.34 110.932 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2076 ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.26 -56.67 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 60.1 110.309 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.32 -55.8 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 71.41 109.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.834 HD11 ' HH2' ' A' 2027 ' ' TRP . 17.9 mt -52.46 -37.25 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 74.12 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -47.32 86.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 52.21 111.041 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.589 ' HG2' HD21 ' A' 2103 ' ' LEU . 2.8 tt0 -63.33 -59.92 4.07 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.63 1.207 . . . . 71.23 110.379 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.677 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -52.62 -41.61 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 62.31 109.259 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -43.36 82.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.494 1.121 . . . . 64.15 110.366 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -38.47 90.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 60.33 110.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.421 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.7 m95 -65.27 -33.64 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 71.15 108.012 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 6.6 t -65.49 -58.2 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 63.24 108.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -40.86 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 61.33 110.307 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.31 87.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 75.11 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.56 ' CE2' HD12 ' A' 2097 ' ' LEU . 3.1 t80 -74.4 -52.18 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 74.12 111.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.571 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -54.04 -31.74 52.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 64.24 110.938 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -71.72 -58.37 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.04 109.315 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.59 66.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 64.04 110.137 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -113.6 -139.4 7.27 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.434 1.084 . . . . 72.01 110.965 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.45 164.25 38.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 73.33 109.35 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -34.39 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.5 109.327 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.34 -49.11 45.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 75.44 109.346 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.08 -35.3 76.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 63.24 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' 2088 ' ' TYR . 0.9 OUTLIER -64.18 -45.35 88.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 72.01 109.315 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 52.6 m -61.83 -45.14 95.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 62.25 110.372 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.448 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.2 OUTLIER -56.26 -46.09 79.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 73.12 110.316 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -63.01 -39.79 95.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.44 109.331 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' 2105 ' ' TYR . 1.1 m95 -65.12 -32.68 74.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 74.34 107.998 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -50.67 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 72.34 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.677 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 7.5 mp -54.41 -52.9 60.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 50.34 109.342 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' 2107 ' ' VAL . 13.4 m-85 -53.79 -56.01 21.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 74.41 110.956 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.71 -36.7 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 71.52 111.042 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2106 ' ' HIS . . . . . 0.45 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.9 OUTLIER -63.39 -45.36 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 71.43 109.616 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -76.17 -37.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 74.33 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.139 ' CG ' HD22 ' A' 2031 ' ' LEU . 7.3 m-85 -69.46 -33.61 73.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 70.14 111.072 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.494 HH21 ' CE ' ' A' 2113 ' ' LYS . 0.1 OUTLIER -81.72 -28.54 33.36 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.474 1.109 . . . . 65.32 110.274 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2110 ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' 2106 ' ' HIS . 0.3 OUTLIER -69.38 -52.44 27.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 75.21 110.311 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' 2108 ' ' PHE . 3.3 pt -42.42 -33.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.3 109.262 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2112 ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' 2113 ' ' LYS . 81.5 p -84.83 -56.91 3.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 74.42 110.007 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2113 ' ' LYS . . . . . 0.494 ' CE ' HH21 ' A' 2109 ' ' ARG . 0.0 OUTLIER -39.91 123.77 1.66 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.511 1.132 . . . . 73.5 109.203 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 73.42 110.252 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.415 0.15 . . . . 65.42 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.27 -15.04 63.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 61.1 110.32 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' 2017 ' ' ILE . 0.3 OUTLIER 67.42 72.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 71.41 109.307 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.636 ' H ' HD12 ' A' 2017 ' ' ILE . 4.4 mp -39.71 133.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 75.33 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -110.26 97.49 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 74.23 110.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.622 HG11 HD12 ' A' 2022 ' ' LEU . 0.2 OUTLIER -40.69 132.19 1.77 Allowed Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.487 1.117 . . . . 62.13 109.265 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.521 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.7 Cg_endo -74.91 -23.31 14.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.386 1.73 . . . . 74.32 111.065 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -117.63 90.7 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 64.34 109.277 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' 2023 ' ' TRP . 0.6 OUTLIER 179.12 149.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.153 . . . . 63.43 109.351 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.733 ' H ' HD23 ' A' 2022 ' ' LEU . 5.0 m0 -48.78 -49.68 37.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.53 108.132 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m170 -47.18 -22.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.14 109.576 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.1 tt0 -72.99 -36.02 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 62.11 110.236 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.561 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -72.76 -32.67 65.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.384 1.052 . . . . 73.22 110.918 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.821 ' HH2' HD11 ' A' 2078 ' ' LEU . 69.3 m95 -71.82 -51.62 21.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 63.01 108.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -59.6 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 74.04 109.595 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.412 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 9.0 pt-20 -67.46 -33.94 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.01 110.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' 2026 ' ' MET . . . -59.69 -64.17 4.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 45.44 110.947 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.132 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.4 tp -60.28 -30.53 69.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 64.14 109.31 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 4.7 mm-40 -54.72 -53.27 57.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.35 110.352 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.436 ' HG2' HG21 ' A' 2050 ' ' VAL . 1.8 tt0 -68.88 -50.13 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 72.31 110.33 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -55.92 -48.52 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.48 1.113 . . . . 62.54 109.415 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' 2031 ' ' LEU . 83.6 p -56.82 -43.88 81.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 71.13 110.052 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.2 OUTLIER -61.75 -34.16 75.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 63.21 110.281 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' 2034 ' ' ALA . 3.1 mt -69.78 -33.48 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 74.24 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 68.7 t80 -83.65 -54.5 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 73.04 110.954 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -72.94 -47.62 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 75.5 110.896 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -64.24 -59.03 8.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 72.02 111.022 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -117.15 -178.94 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 72.31 110.338 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.18 32.17 5.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.571 1.169 . . . . 73.12 110.338 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -110.04 77.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 70.14 109.382 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.757 HG12 ' CE2' ' A' 2048 ' ' PHE . 35.6 t -53.24 -20.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 73.23 109.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.89 -37.12 41.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 70.4 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.26 -55.2 27.68 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.539 1.149 . . . . 64.42 111.011 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.575 ' CE ' HG13 ' A' 2044 ' ' VAL . 9.0 tmm? -57.7 -55.07 39.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 62.44 111.068 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.757 ' CE2' HG12 ' A' 2044 ' ' VAL . 10.3 m-85 -50.06 -43.68 51.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 73.5 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.8 OUTLIER -76.01 -15.4 60.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 63.02 110.344 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.989 ' O ' HD22 ' A' 2054 ' ' LEU . 12.1 t -85.87 -44.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.142 . . . . 72.32 109.357 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.85 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.27 -41.8 39.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 60.31 109.204 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.7 OUTLIER -38.79 -54.69 3.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 74.45 110.223 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.01 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 63.41 110.939 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.01 -54.92 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 63.14 109.331 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' 2059 ' ' GLU . 3.4 m-70 -60.37 -52.95 63.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 64.41 109.66 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.02 -51.8 54.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 61.55 109.3 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.58 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.58 -35.84 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 62.2 110.973 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.561 ' HE3' ' CE ' ' A' 2026 ' ' MET . 1.4 mmt -70.58 -31.89 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.193 . . . . 65.41 110.984 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.9 mm-40 -77.63 -64.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 74.03 110.316 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.5 -24.52 61.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 70.14 110.347 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.58 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.99 81.67 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 43.21 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 65.1 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.645 ' O ' HG23 ' A' 2064 ' ' THR . 9.0 tt0 -133.75 -62.67 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 74.42 110.163 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.645 HG23 ' O ' ' A' 2063 ' ' GLN . 5.0 p -158.83 -169.44 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 73.42 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.5 OUTLIER -69.83 -27.3 64.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 71.25 109.252 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -75.03 -32.45 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 74.45 109.249 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.577 ' HG3' ' CH2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -46.19 -25.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 75.35 110.34 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' 2072 ' ' GLN . 35.8 p -55.13 -48.44 73.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 61.4 110.409 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2069 ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' 2073 ' ' ALA . 8.0 t -53.55 -42.59 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 54.45 109.916 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' 2111 ' ' ILE . 22.4 t80 -72.86 -53.96 10.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.385 1.053 . . . . 75.44 110.905 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.526 ' O ' ' CA ' ' A' 2075 ' ' GLY . 16.8 t-20 -59.35 -31.89 69.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 72.31 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2072 ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' 2068 ' ' THR . 2.7 mt-30 -80.91 -51.59 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.637 1.211 . . . . 71.41 110.382 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2073 ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -42.47 -43.75 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 62.4 109.227 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.7 m-85 -102.88 -15.68 16.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 64.51 110.93 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.83 -53.08 2.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 53.54 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.14 -39.27 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 75.14 110.196 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.43 -61.28 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.34 109.304 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.821 HD11 ' HH2' ' A' 2027 ' ' TRP . 16.7 mt -52.1 -38.1 56.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 41.42 109.266 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 12.6 mmm -58.07 -47.94 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 71.41 111.04 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -62.91 -59.35 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 74.52 110.227 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.13 -41.61 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 54.5 109.317 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -55.31 -44.15 75.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.35 110.273 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.43 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.12 -36.59 84.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 73.45 110.276 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.2 m95 -71.14 -32.58 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.016 -1.105 . . . . 73.44 108.016 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.48 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 11.1 t -61.07 -49.56 76.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 73.42 108.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 74.43 110.328 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.43 ' CE ' ' HG3' ' A' 2083 ' ' GLU . 10.1 mttt -49.7 -48.86 49.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 73.24 109.275 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 7.5 t80 -69.94 -52.52 23.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 72.54 111.075 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.478 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -46.18 -25.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 71.24 111.008 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -41.66 88.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 74.32 109.249 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.77 -47.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 40.45 110.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 130.77 88.77 0.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 73.21 110.89 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2093 ' ' ASN . . . . . 0.477 ' N ' ' CD2' ' A' 2088 ' ' TYR . 2.3 m-20 -110.83 96.43 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 73.2 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 t -46.09 -44.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 73.41 109.325 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -46.89 69.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 65.15 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -69.04 -49.88 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 72.53 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.741 HD21 HG21 ' A' 2044 ' ' VAL . 21.7 tp -53.9 -44.78 70.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 73.24 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 5.9 m -59.69 -48.4 81.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 70.33 110.462 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -40.42 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 75.02 110.289 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -67.57 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 63.42 109.397 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.5 m95 -72.53 -29.75 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 75.53 107.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.8 -50.89 30.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 73.41 109.294 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.688 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 3.7 mt -55.8 -51.13 68.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 72.02 109.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' 2100 ' ' ALA . 12.9 m-85 -53.17 -56.03 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 71.22 110.953 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.19 -38.68 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 73.13 111.064 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -50.48 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 73.23 109.594 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -70.82 -49.27 51.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 64.44 109.365 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.132 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -59.64 -31.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 71.44 110.952 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.9 OUTLIER -78.29 -35.58 47.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.43 110.271 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -50.8 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 75.25 110.361 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.618 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -47.83 -35.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 75.43 109.368 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 1.8 p -80.71 -43.73 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 53.31 109.956 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2113 ' ' LYS . . . . . 0.441 ' HZ1' HH21 ' A' 2109 ' ' ARG . 0.0 OUTLIER -47.44 131.56 13.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 70.44 109.276 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 73.14 110.24 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.456 0.169 . . . . 72.11 110.99 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -117.28 -14.1 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 74.1 110.306 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 78.38 170.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 74.35 109.266 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.817 HG22 ' N ' ' A' 2018 ' ' ARG . 1.5 mp 65.07 -93.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 75.14 109.35 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.817 ' N ' HG22 ' A' 2017 ' ' ILE . 0.0 OUTLIER -58.52 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 75.24 110.299 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.759 HG11 HD13 ' A' 2022 ' ' LEU . 70.7 t -85.17 143.03 38.87 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 73.44 109.334 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.706 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.2 Cg_endo -75.05 -64.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.538 1.81 . . . . 74.44 111.073 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.555 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -78.95 57.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.53 109.305 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.759 HD13 HG11 ' A' 2019 ' ' VAL . 1.5 tp -138.53 148.68 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 65.31 109.284 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.566 ' CE3' ' SD ' ' A' 2058 ' ' MET . 7.5 m0 -78.13 -48.22 16.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.005 -1.109 . . . . 73.3 108.005 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.9 m80 -47.47 -22.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 74.22 109.602 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -70.43 -37.02 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 75.24 110.345 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.505 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -75.11 -31.62 61.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 75.01 110.979 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.771 ' HH2' HD11 ' A' 2078 ' ' LEU . 69.2 m95 -71.56 -51.06 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 75.11 108.078 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2028 ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' 2032 ' ' GLU . 0.7 OUTLIER -56.07 -51.57 67.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 71.53 109.567 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.3 mm-40 -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 65.24 110.292 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' 2026 ' ' MET . . . -60.31 -65.23 3.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 61.34 110.958 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.12 HD22 ' CG ' ' A' 2108 ' ' PHE . 0.9 OUTLIER -61.27 -31.79 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 0.714 . . . . 72.31 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 7.8 mt-10 -54.23 -49.89 68.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 74.24 110.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.73 -51.05 11.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 74.11 110.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.532 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -52.29 -43.42 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 72.45 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' 2031 ' ' LEU . 27.2 p -73.54 -49.77 24.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 55.21 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -48.0 49.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 74.24 110.362 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' 2038 ' ' TYR . 4.0 pp -70.47 -46.52 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 71.12 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.843 ' N ' HD12 ' A' 2037 ' ' LEU . 68.3 t80 -53.95 -53.37 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.358 1.036 . . . . 74.54 110.945 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -73.43 -45.59 53.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 74.45 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -60.04 -34.99 85.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.098 . . . . 43.21 110.97 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' 2037 ' ' LEU . 6.7 tp10 -149.33 142.47 24.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 73.14 110.351 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.7 57.44 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 75.1 110.286 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.3 m120 -128.3 72.65 1.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 71.05 109.299 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.943 HG21 HD21 ' A' 2097 ' ' LEU . 53.3 t -57.04 -20.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 55.15 109.367 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -49.91 -42.12 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 63.32 109.286 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.499 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -54.12 -54.11 33.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 60.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.552 ' HE3' ' CG1' ' A' 2044 ' ' VAL . 12.2 tmm? -52.59 -55.12 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.801 . . . . 62.1 110.971 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.673 ' CD2' ' HE3' ' A' 2089 ' ' MET . 8.4 m-85 -51.48 -39.33 57.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 73.43 111.019 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.1 mt-10 -76.86 -16.17 59.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 63.43 110.356 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.986 ' O ' HD22 ' A' 2054 ' ' LEU . 4.4 t -87.01 -43.54 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 71.44 109.258 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.73 -39.53 44.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 75.14 109.324 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' 2048 ' ' PHE . 1.1 mm-40 -40.83 -54.57 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.32 110.378 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.593 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.9 Cg_endo -75.03 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.434 1.755 . . . . 71.41 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.76 -53.93 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 54.35 109.282 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2055 ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.87 -52.74 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 52.25 109.617 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.51 -51.31 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.637 1.211 . . . . 75.34 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.21 -37.42 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.4 111.032 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.566 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.1 mmt -69.13 -32.01 71.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 71.43 111.007 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.22 -63.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.15 110.352 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' 2056 ' ' ALA . 8.5 ptm180 -71.59 -20.71 61.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 64.34 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.19 80.49 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 75.3 110.971 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 74.22 110.996 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.498 ' HG2' HG22 ' A' 2064 ' ' THR . 10.6 tt0 -143.36 -75.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 75.24 110.374 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.498 HG22 ' HG2' ' A' 2063 ' ' GLN . 1.2 t -163.89 165.5 22.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 72.21 110.425 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' 2065 ' ' LEU . 3.1 mt -54.46 -27.85 40.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 74.01 109.361 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 5.6 tttm -71.24 -35.79 71.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 51.34 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 0.0 OUTLIER -85.79 -19.02 31.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 74.42 110.334 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.1 m -54.26 -26.45 29.04 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.471 1.107 . . . . 75.52 110.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -38.36 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 72.11 109.979 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.623 ' CE2' HG22 ' A' 2111 ' ' ILE . 4.5 t80 -63.85 -47.56 80.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.382 1.051 . . . . 74.3 110.963 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.509 ' O ' ' CA ' ' A' 2075 ' ' GLY . 6.7 t30 -69.52 -28.47 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 62.03 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -54.1 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 65.31 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.44 -52.14 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 70.32 109.247 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.3 m-85 -91.55 -15.31 28.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 63.51 111.081 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.1 -43.88 1.94 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 63.11 111.012 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -50.52 12.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 0.803 . . . . 63.14 110.362 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.79 -54.94 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.11 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.771 HD11 ' HH2' ' A' 2027 ' ' TRP . 52.6 mt -52.48 -38.16 58.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 74.3 109.346 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.469 1.105 . . . . 75.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.54 ' OE1' HD21 ' A' 2103 ' ' LEU . 31.5 tt0 -62.64 -54.33 41.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.634 1.209 . . . . 73.24 110.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.56 -39.34 64.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.436 1.085 . . . . 63.12 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -39.71 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 72.44 110.266 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -39.0 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 71.15 110.278 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.435 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.8 m95 -68.61 -34.54 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 72.32 108.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -58.25 -56.41 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 63.12 108.329 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -37.66 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 63.24 110.35 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.451 ' CB ' ' OD2' ' A' 2096 ' ' ASP . 1.8 mtpp -56.56 -48.89 76.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 72.33 109.272 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -70.67 -45.67 64.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 63.52 111.008 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.673 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -56.44 -30.57 63.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 75.11 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.91 -57.3 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 72.04 109.32 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 23.1 t -69.83 -63.02 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 65.25 110.003 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.9 84.17 1.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 74.32 110.969 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.68 125.26 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 62.04 109.349 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 p -61.68 -38.81 81.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 62.23 109.212 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.2 tttt -49.5 -51.72 34.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.517 1.136 . . . . 71.11 109.23 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2096 ' ' ASP . . . . . 0.466 ' OD1' ' C ' ' A' 2096 ' ' ASP . 0.6 OUTLIER -64.98 -42.8 94.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 70.15 109.325 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.943 HD21 HG21 ' A' 2044 ' ' VAL . 2.5 tp -58.18 -46.79 85.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 72.01 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 21.0 m -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 63.32 110.455 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -48.09 75.59 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.509 1.13 . . . . 63.34 110.265 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.36 -47.04 87.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 72.21 109.34 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.452 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.1 m95 -58.19 -31.0 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.955 -1.128 . . . . 64.35 107.955 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.04 -49.69 66.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 65.44 109.298 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' 2107 ' ' VAL . 6.3 mp -54.41 -52.91 60.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.54 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' 2107 ' ' VAL . 11.1 m-85 -53.87 -55.87 22.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 65.33 111.084 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.81 -36.94 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 64.3 110.963 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -50.71 70.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 72.15 109.537 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -70.48 -49.37 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 63.33 109.303 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.12 ' CG ' HD22 ' A' 2031 ' ' LEU . 15.0 m-85 -59.77 -29.86 68.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 75.02 111.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.8 OUTLIER -76.84 -39.78 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.172 . . . . 72.13 110.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -51.33 69.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 73.23 110.296 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.623 HG22 ' CE2' ' A' 2070 ' ' PHE . 19.0 pt -46.22 -39.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.36 1.037 . . . . 72.45 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 16.0 p -81.93 -53.82 5.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 71.34 110.009 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.19 113.42 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 74.14 109.344 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 23.3 pt20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 55.35 110.229 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.445 0.164 . . . . 74.21 110.969 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -112.52 -12.69 13.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 71.3 110.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 1.7 mp 53.97 48.93 20.07 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.491 1.119 . . . . 64.23 109.342 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 15.0 mt -121.53 139.57 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 73.13 109.27 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.51 ' CD ' ' C ' ' A' 2114 ' ' GLN . 0.0 OUTLIER -125.63 71.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 72.25 110.323 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.707 HG23 ' HD2' ' A' 2020 ' ' PRO . 2.5 p -40.43 142.9 0.71 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.06 . . . . 71.34 109.243 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' 2019 ' ' VAL . 18.5 Cg_endo -74.83 -82.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.406 1.74 . . . . 54.21 111.062 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.638 ' O ' HD12 ' A' 2021 ' ' ILE . 1.8 pp -59.68 81.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 72.32 109.325 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' 2020 ' ' PRO . 0.2 OUTLIER -166.79 -159.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 62.25 109.251 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.584 ' CE3' ' SD ' ' A' 2058 ' ' MET . 11.5 m0 -56.46 -48.21 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 73.35 108.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.2 m170 -46.9 -25.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 73.34 109.606 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' 2022 ' ' LEU . 36.9 tt0 -70.69 -33.68 71.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 55.2 110.265 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.967 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -75.32 -30.54 60.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 75.15 110.908 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.824 ' HH2' HD11 ' A' 2078 ' ' LEU . 62.9 m95 -71.56 -50.88 26.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.175 . . . . 71.23 108.068 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -57.93 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 52.32 109.568 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.71 -35.2 79.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 70.23 110.204 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.29 -63.31 4.99 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 55.13 111.017 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.123 HD22 ' CG ' ' A' 2108 ' ' PHE . 6.5 tp -56.92 -36.99 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 44.45 109.364 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.06 -53.97 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 75.45 110.3 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.766 ' OE2' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER -61.55 -50.4 72.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 74.12 110.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -55.1 -40.87 70.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 71.11 109.267 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' 2031 ' ' LEU . 0.6 OUTLIER -72.41 -51.96 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 63.04 109.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -50.79 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 72.31 110.262 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.766 HD23 ' OE2' ' A' 2033 ' ' GLU . 3.1 pp -68.7 -45.08 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 72.02 109.368 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' 2044 ' ' VAL . 19.9 t80 -54.22 -48.57 70.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 72.4 111.038 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -77.83 -44.37 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 73.11 111.089 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -79.04 -72.14 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.601 1.188 . . . . 74.44 110.946 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' 2037 ' ' LEU . 7.1 tp10 -53.21 -19.57 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 0.725 . . . . 73.25 110.253 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' 2038 ' ' TYR . 8.2 mmt180 60.0 26.07 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.14 110.264 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.42 ' HB3' ' HG2' ' A' 2045 ' ' LYS . 0.6 OUTLIER -124.34 120.96 33.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 73.21 109.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.654 HG21 HD11 ' A' 2097 ' ' LEU . 34.5 m -77.33 -29.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 70.14 109.35 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.15 -40.86 25.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 64.33 109.289 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.96 -50.65 64.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 63.04 110.967 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.499 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 4.7 tmm? -53.49 -44.68 69.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 0.699 . . . . 74.04 111.045 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.47 ' CD1' ' SD ' ' A' 2047 ' ' MET . 11.2 m-85 -65.8 -36.18 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 62.55 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.6 mm-40 -75.89 -14.42 60.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 72.2 110.289 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.578 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.3 t -84.62 -43.18 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 65.34 109.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.695 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.75 -46.19 26.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.373 1.046 . . . . 74.13 109.254 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.35 -55.09 1.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 75.24 110.301 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.578 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.06 -50.96 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 74.53 110.939 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.967 HD22 ' SD ' ' A' 2026 ' ' MET . 27.9 mt -49.34 -56.49 9.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 72.23 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 3.0 m-70 -59.91 -53.06 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 75.15 109.663 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.86 -50.52 45.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.24 109.408 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.52 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.17 -38.23 50.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 74.13 111.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.584 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -67.81 -32.5 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.381 1.051 . . . . 53.04 111.042 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.2 mm-40 -77.12 -64.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 74.05 110.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 2056 ' ' ALA . 3.7 ptt180 -69.49 -21.9 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 71.21 110.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.35 84.7 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 70.24 111.009 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.542 1.811 . . . . 61.55 111.067 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.506 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.9 OUTLIER -152.04 -73.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 71.55 110.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' 2063 ' ' GLN . 26.6 p -157.51 177.71 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 72.31 110.418 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.93 -27.87 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 64.42 109.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -36.76 78.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 71.13 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.542 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 3.2 mm-40 -81.4 -23.57 37.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 72.41 110.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -55.73 -34.7 65.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.21 110.393 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.6 t -74.04 -36.74 64.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.4 110.006 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.631 ' CE2' HG22 ' A' 2111 ' ' ILE . 9.8 t80 -63.96 -48.24 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.22 111.089 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' 2075 ' ' GLY . 9.0 t-20 -66.85 -28.92 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 73.32 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -79.12 -52.29 8.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.32 110.291 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.92 -35.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.378 1.049 . . . . 62.32 109.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.589 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.8 m-85 -107.72 -20.58 13.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 75.14 111.005 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -37.23 -39.18 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.283 0.99 . . . . 64.22 110.919 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -78.38 -48.25 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 71.03 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.02 -56.98 14.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 71.34 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.824 HD11 ' HH2' ' A' 2027 ' ' TRP . 11.6 mt -52.53 -39.15 61.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 74.34 109.339 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.5 mmm -57.73 -48.29 80.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 50.32 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.97 -55.92 28.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.612 1.195 . . . . 70.1 110.38 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -55.79 -43.14 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.576 1.172 . . . . 71.23 109.269 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -53.73 -40.22 65.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 75.41 110.376 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.496 ' HA ' ' NE ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -68.15 -37.13 80.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 64.22 110.235 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.52 -23.53 58.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.187 . . . . 71.34 107.969 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 9.9 t -67.67 -58.94 3.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 71.45 108.39 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' 2083 ' ' GLU . 4.8 ptt180 -63.24 -27.56 69.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 72.12 110.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.465 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.4 OUTLIER -61.09 -54.91 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.33 109.326 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.433 ' CZ ' HD12 ' A' 2097 ' ' LEU . 9.1 t80 -67.63 -34.78 77.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 72.24 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -50.06 61.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 63.31 111.053 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -58.13 8.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 65.44 109.355 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.53 66.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 72.42 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -111.8 -130.75 5.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 62.41 110.977 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -161.47 167.75 24.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 0.774 . . . . 72.31 109.227 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.3 -33.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 72.45 109.259 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 14.2 tttt -50.52 -49.45 55.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 71.31 109.239 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.62 74.47 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.616 1.197 . . . . 63.41 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.654 HD11 HG21 ' A' 2044 ' ' VAL . 0.7 OUTLIER -66.38 -49.09 68.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 74.14 109.366 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -59.27 -42.41 91.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.634 1.209 . . . . 61.53 110.383 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -43.86 95.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 71.4 110.363 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.612 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -63.64 -40.4 96.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.25 109.297 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.419 ' NE1' ' HG3' ' A' 2047 ' ' MET . 0.8 OUTLIER -70.25 -29.79 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 73.34 108.01 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.96 -51.02 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 72.33 109.408 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.662 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 4.3 mt -55.27 -53.17 59.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.591 1.182 . . . . 70.13 109.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' 2100 ' ' ALA . 20.0 m-85 -54.57 -56.27 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 74.14 110.948 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 1.1 t80 -47.71 -34.88 8.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 54.2 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -53.94 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 72.22 109.541 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' 2103 ' ' LEU . 0.9 OUTLIER -63.51 -49.98 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 64.22 109.344 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.123 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -57.39 -29.33 63.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 74.23 110.975 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 1.1 mtt180 -76.05 -38.51 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 73.21 110.191 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -51.19 69.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 71.25 110.339 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.631 HG22 ' CE2' ' A' 2070 ' ' PHE . 16.1 pt -48.14 -27.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 74.12 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.56 -50.88 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.13 109.898 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.03 125.59 1.98 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 72.02 109.342 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2114 ' ' GLN . . . . . 0.51 ' C ' ' CD ' ' A' 2018 ' ' ARG . 1.4 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 71.43 110.355 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.447 0.165 . . . . 61.11 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -102.09 -12.81 17.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 73.4 110.32 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 72.55 29.55 2.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 75.11 109.307 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' 2018 ' ' ARG . 5.0 mt -148.17 -89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 71.24 109.357 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.441 ' N ' HG22 ' A' 2017 ' ' ILE . 0.0 OUTLIER -158.81 85.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.168 . . . . 62.15 110.322 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2019 ' ' VAL . . . . . 1.07 HG13 HD13 ' A' 2022 ' ' LEU . 0.2 OUTLIER -39.54 128.87 1.42 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.51 109.316 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -30.0 7.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.559 1.821 . . . . 63.2 110.972 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.443 ' O ' HD12 ' A' 2021 ' ' ILE . 1.7 pp -109.81 98.39 6.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 O-C-N 124.562 1.164 . . . . 63.11 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2022 ' ' LEU . . . . . 1.07 HD13 HG13 ' A' 2019 ' ' VAL . 0.3 OUTLIER -155.25 -158.87 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 60.24 109.307 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.602 ' CZ2' ' OE1' ' A' 2063 ' ' GLN . 10.6 m0 -63.88 -51.04 66.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.886 -1.153 . . . . 62.5 107.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' 2024 ' ' HIS . 2.0 m170 -45.84 -24.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 75.55 109.537 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' 2029 ' ' GLU . 2.9 tt0 -73.62 -40.25 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 64.33 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.523 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.1 OUTLIER -67.08 -31.45 71.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 74.53 111.051 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.762 ' HH2' HD11 ' A' 2078 ' ' LEU . 66.2 m95 -73.01 -50.8 21.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 75.31 108.017 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -50.69 72.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 72.3 109.551 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.1 mm-40 -67.38 -45.64 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 75.43 110.328 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -52.29 -64.64 3.85 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.605 1.191 . . . . 62.45 110.996 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.156 HD22 ' CG ' ' A' 2108 ' ' PHE . 1.9 tp -58.97 -34.04 71.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.787 . . . . 72.45 109.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -53.61 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 74.21 110.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' 2037 ' ' LEU . 4.1 tt0 -69.44 -51.09 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 73.11 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.502 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -50.99 -46.96 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 72.54 109.323 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 2031 ' ' LEU . 4.3 t -65.66 -53.73 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 54.14 110.013 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -48.49 57.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.5 1.125 . . . . 72.2 110.239 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.949 HD12 ' N ' ' A' 2038 ' ' TYR . 2.9 pp -70.73 -44.34 67.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 75.15 109.257 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.949 ' N ' HD12 ' A' 2037 ' ' LEU . 27.6 t80 -51.73 -56.45 13.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.24 111.014 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -69.89 -30.4 67.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 75.03 111.04 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -47.1 -68.74 1.05 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.508 1.13 . . . . 62.33 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' 2042 ' ' ARG . 3.5 pm0 -139.48 51.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 0.822 . . . . 65.34 110.27 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' 2041 ' ' GLU . 79.0 mmt-85 35.13 40.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 74.43 110.298 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.425 ' O ' HD13 ' A' 2037 ' ' LEU . 32.6 m-20 -94.24 64.64 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 73.22 109.268 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.922 HG21 HD21 ' A' 2097 ' ' LEU . 55.5 t -51.71 -22.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 72.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -45.91 62.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 73.34 109.274 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.584 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -53.46 -54.01 32.26 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.477 1.11 . . . . 72.5 110.976 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.613 ' CE ' HG13 ' A' 2044 ' ' VAL . 12.7 tmm? -51.49 -54.73 24.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 0.782 . . . . 70.33 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.711 ' CE2' HG12 ' A' 2044 ' ' VAL . 20.6 m-85 -49.84 -42.81 48.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 75.12 111.052 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 2.4 mm-40 -76.87 -15.29 59.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 64.01 110.254 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.78 ' O ' HD22 ' A' 2054 ' ' LEU . 6.2 t -85.31 -45.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 72.21 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.29 -43.1 34.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 70.54 109.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -37.19 -54.63 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 74.24 110.31 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.585 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.95 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 75.14 110.929 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.03 -55.56 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 64.23 109.354 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' 2051 ' ' LEU . 17.6 m-70 -61.2 -52.44 64.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 70.12 109.598 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.22 -52.32 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 74.05 109.349 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.518 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -49.98 -38.84 38.82 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.529 1.143 . . . . 62.22 110.997 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.4 mmt -68.51 -31.63 71.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 74.51 110.993 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.1 mt-10 -78.11 -63.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 50.13 110.369 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.78 -15.95 62.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 71.43 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.82 75.05 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.437 1.086 . . . . 62.41 111.073 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.0 Cg_endo -75.13 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.463 1.77 . . . . 74.31 110.931 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.626 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -139.4 -81.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 71.52 110.315 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.626 HG23 ' O ' ' A' 2063 ' ' GLN . 1.9 p -157.73 -172.7 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 63.05 110.333 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.82 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 54.54 109.268 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -36.68 76.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.31 109.249 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.27 -21.21 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 74.32 110.253 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 3.8 m -54.33 -27.01 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 44.14 110.364 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.0 t -68.8 -38.44 79.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 64.11 109.961 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' 2111 ' ' ILE . 10.9 t80 -66.97 -52.93 36.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.391 1.057 . . . . 73.2 111.042 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' 2075 ' ' GLY . 1.7 t-20 -59.02 -30.52 68.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 62.32 109.337 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -79.22 -40.02 31.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 64.04 110.348 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -53.01 -35.18 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 74.44 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.81 ' HD1' HG22 ' A' 2107 ' ' VAL . 55.4 m-85 -108.58 -17.21 14.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 74.2 110.877 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.76 -46.81 0.89 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.5 1.125 . . . . 43.24 111.049 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -39.3 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 0.822 . . . . 64.3 110.284 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' 2074 ' ' TYR . 16.6 m-20 -58.32 -60.12 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 71.41 109.264 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.762 HD11 ' HH2' ' A' 2027 ' ' TRP . 23.1 mt -52.58 -39.76 61.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.2 . . . . 73.35 109.366 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.85 -45.77 78.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 71.04 111.058 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.506 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.8 tt0 -66.31 -61.39 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 74.12 110.396 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.95 -42.05 65.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.606 1.191 . . . . 54.13 109.36 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2082 ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.5 tt0 -57.57 -41.66 81.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 65.04 110.274 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -63.1 -38.36 90.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.44 110.276 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.601 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 94.4 m95 -72.71 -23.48 60.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 74.41 108.035 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 1.3 m -73.29 -58.7 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 73.25 108.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 6.2 ptt180 -66.86 -27.89 67.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 71.34 110.224 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -68.9 -44.54 72.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 71.12 109.306 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.4 OUTLIER -71.53 -37.65 71.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.591 1.182 . . . . 65.51 111.077 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.601 ' HE2' ' CE2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -65.0 -38.03 89.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 72.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -41.33 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 73.32 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' 2087 ' ' LYS . 8.5 t -81.52 -71.61 0.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.39 1.057 . . . . 64.2 109.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 106.68 90.73 2.18 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.473 1.108 . . . . 72.23 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.82 106.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 71.41 109.319 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.5 t -46.56 -40.9 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 72.21 109.288 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -49.57 -48.2 48.78 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.465 1.103 . . . . 73.43 109.307 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -65.51 -39.25 91.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 62.44 109.321 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.922 HD21 HG21 ' A' 2044 ' ' VAL . 4.1 tp -63.82 -46.03 86.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.396 1.06 . . . . 72.43 109.236 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -57.69 -43.13 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 64.43 110.373 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.4 ' O ' HD12 ' A' 2103 ' ' LEU . 0.0 OUTLIER -62.12 -41.25 98.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 74.44 110.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -65.09 -40.9 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 74.04 109.342 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.416 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.0 OUTLIER -64.64 -32.13 73.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 74.41 108.089 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -51.17 61.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 61.13 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.2 mp -54.7 -49.53 70.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 71.54 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -56.54 -51.68 67.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 70.22 111.089 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -47.44 -46.22 26.45 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.529 1.143 . . . . 63.41 110.995 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.21 -40.99 99.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 62.04 109.593 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.81 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.8 t -66.45 -57.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 62.2 109.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.156 ' CG ' HD22 ' A' 2031 ' ' LEU . 32.4 m-85 -62.57 -29.12 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 73.22 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.6 ttm180 -74.9 -30.05 61.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 74.43 110.196 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -51.13 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.12 110.353 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.704 HG23 ' OH ' ' A' 2074 ' ' TYR . 14.4 pt -47.55 -29.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 71.11 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 45.1 t -86.1 -51.23 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 73.44 109.968 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.18 142.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 74.52 109.334 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 74.43 110.316 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.475 0.178 . . . . 73.12 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -114.71 -30.23 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 64.52 110.271 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' 2017 ' ' ILE . 0.0 OUTLIER -172.96 -152.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 72.53 109.227 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' 2016 ' ' LEU . 1.3 mt -39.76 -60.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.39 1.056 . . . . 72.11 109.301 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.498 ' CD ' HG22 ' A' 2017 ' ' ILE . 0.0 OUTLIER -167.69 176.01 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.44 110.289 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.427 ' N ' ' HG2' ' A' 2018 ' ' ARG . 3.7 t -90.45 135.72 29.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 64.43 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 -23.0 14.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.582 1.833 . . . . 44.45 111.04 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' 2021 ' ' ILE . 22.6 mt -103.8 46.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 71.31 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.882 HD23 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -130.09 177.8 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.409 1.068 . . . . 74.04 109.24 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.882 ' H ' HD23 ' A' 2022 ' ' LEU . 10.7 m0 -47.89 -43.75 28.94 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.098 . . . . 74.54 108.034 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.6 m80 -47.53 -23.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 61.34 109.517 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.0 tt0 -71.01 -35.8 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 70.3 110.234 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.499 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.1 OUTLIER -74.48 -31.53 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 64.42 110.994 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.771 ' HH2' HD11 ' A' 2078 ' ' LEU . 72.7 m95 -74.01 -37.61 64.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 73.2 108.026 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2028 ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' 2032 ' ' GLU . 0.2 OUTLIER -68.88 -56.74 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.13 109.577 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 2.2 pp20? -69.47 -36.37 76.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 62.15 110.408 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' 2026 ' ' MET . . . -58.52 -65.06 3.77 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.431 1.082 . . . . 65.24 110.989 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.16 HD22 ' CG ' ' A' 2108 ' ' PHE . 2.7 tp -61.36 -30.53 70.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 73.32 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' 2028 ' ' HIS . 6.9 mm-40 -53.32 -52.14 60.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.32 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.08 -51.15 16.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 74.21 110.412 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -51.42 -42.66 61.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 62.13 109.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 79.3 p -72.34 -48.91 38.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 43.51 110.062 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -50.31 -51.88 41.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 73.34 110.318 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.496 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 3.9 pp -68.29 -46.88 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.068 . . . . 70.4 109.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.731 ' HD1' HG12 ' A' 2044 ' ' VAL . 27.7 t80 -54.22 -52.25 61.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 73.32 110.991 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -74.37 -46.31 41.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 74.51 110.907 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -59.97 -54.88 33.8 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.528 1.143 . . . . 42.05 110.968 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -117.91 155.4 30.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 73.15 110.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.45 ' C ' ' CD ' ' A' 2042 ' ' ARG . 0.0 OUTLIER -84.94 46.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 73.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -127.64 87.1 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.34 109.263 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.839 HG11 ' CD1' ' A' 2097 ' ' LEU . 32.1 m -65.37 -12.42 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 31.43 109.276 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.66 -39.09 49.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.508 1.13 . . . . 74.3 109.251 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.849 ' O ' HG23 ' A' 2050 ' ' VAL . . . -55.5 -44.32 85.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 51.24 111.056 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.495 ' O ' ' HG ' ' A' 2051 ' ' LEU . 30.7 ttp -65.54 -55.54 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 64.04 110.923 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.588 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 31.2 m-85 -50.41 -44.99 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 61.23 110.999 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.5 pp20? -75.51 -16.52 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 71.43 110.337 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' 2046 ' ' GLY . 3.9 t -85.1 -45.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.557 1.16 . . . . 72.31 109.35 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.859 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -76.93 -42.58 38.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 75.04 109.294 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.6 OUTLIER -36.94 -55.04 1.68 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 44.25 110.339 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.584 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -75.03 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 63.33 111.055 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' 2054 ' ' LEU . 0.1 OUTLIER -48.85 -56.15 9.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 75.11 109.262 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' 2051 ' ' LEU . 2.8 m-70 -60.05 -52.35 65.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 73.11 109.658 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.55 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 73.41 109.317 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.553 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.23 -36.88 32.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 65.13 111.005 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.607 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -69.93 -31.67 69.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 74.03 111.053 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.53 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 72.42 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.8 ptp180 -71.2 -20.99 62.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.53 110.399 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.28 80.34 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 73.4 111.063 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 72.25 110.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.709 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -145.93 -76.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.52 110.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.709 HG23 ' O ' ' A' 2063 ' ' GLN . 2.0 p -160.58 -169.05 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 71.13 110.457 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' 2065 ' ' LEU . 0.3 OUTLIER -66.69 -28.1 68.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 64.21 109.268 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.27 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 73.44 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.553 ' HG2' ' CH2' ' A' 2023 ' ' TRP . 3.3 tp10 -76.55 -18.47 58.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 74.22 110.279 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 15.7 m -63.19 -35.85 81.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.24 110.422 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.5 m -70.76 -31.64 68.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.11 109.986 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.553 ' HE2' HG22 ' A' 2111 ' ' ILE . 32.0 t80 -66.18 -52.68 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 65.41 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.505 ' O ' ' CA ' ' A' 2075 ' ' GLY . 28.9 t-20 -63.5 -29.12 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 61.45 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.6 -53.2 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 73.15 110.371 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.0 -46.44 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 61.13 109.241 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.58 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.5 m-85 -97.8 -14.98 20.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 75.3 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.44 -39.42 1.15 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 43.2 111.043 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -51.74 9.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.376 0.692 . . . . 71.12 110.248 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.05 -54.15 43.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 74.41 109.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.771 HD11 ' HH2' ' A' 2027 ' ' TRP . 16.9 mt -52.95 -36.59 60.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 73.32 109.295 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 ttp -63.16 -47.24 83.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.15 110.94 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.8 tt0 -64.38 -58.54 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.635 1.209 . . . . 74.02 110.361 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.751 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.12 -42.13 65.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.23 109.238 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.97 -39.33 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 74.13 110.309 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -37.51 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.22 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.549 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.7 m95 -68.21 -33.88 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.015 -1.105 . . . . 63.54 108.015 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.95 -55.81 12.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 73.24 108.259 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.76 -44.22 86.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 72.53 110.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.549 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.48 -34.68 75.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 62.13 109.198 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.561 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.4 OUTLIER -74.92 -42.66 57.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 72.34 111.081 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.489 ' HE1' ' CG ' ' A' 2048 ' ' PHE . 1.3 mtt -62.35 -32.34 73.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.11 110.956 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -48.6 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 64.15 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.9 t -77.2 -67.41 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 75.31 109.946 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 101.71 108.13 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.422 1.076 . . . . 54.35 111.019 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.46 120.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 74.03 109.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 t -56.72 -40.07 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.112 . . . . 65.13 109.31 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 15.1 tttt -49.41 -46.6 47.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 75.33 109.253 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -37.15 81.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 73.51 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.839 ' CD1' HG11 ' A' 2044 ' ' VAL . 0.4 OUTLIER -62.27 -43.72 98.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 63.5 109.293 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 27.8 m -62.89 -47.04 85.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 73.11 110.368 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.0 OUTLIER -53.61 -51.5 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 64.33 110.215 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.3 -44.05 95.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.53 109.315 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.486 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 2.3 m95 -60.54 -30.74 69.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 124.481 1.113 . . . . 75.23 108.081 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.83 -51.0 60.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 74.11 109.319 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.751 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 8.0 mp -53.76 -53.35 53.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 65.01 109.397 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -54.04 -56.17 20.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.22 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.7 OUTLIER -48.17 -35.87 12.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 62.12 110.98 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2106 ' ' HIS . . . . . 0.472 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.0 OUTLIER -64.68 -44.66 89.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 63.35 109.59 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -78.07 -37.26 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 72.3 109.307 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.16 ' CG ' HD22 ' A' 2031 ' ' LEU . 11.0 m-85 -71.24 -34.61 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.085 . . . . 63.14 111.039 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -80.86 -28.35 36.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 74.53 110.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2110 ' ' ARG . . . . . 0.445 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -70.68 -50.79 32.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 62.41 110.33 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.585 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 9.2 pt -42.68 -32.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 64.23 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 15.7 p -87.85 -54.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 52.25 109.949 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 123.62 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 73.45 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 72.33 110.322 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.552 0.215 . . . . 71.5 110.943 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.25 -10.48 56.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 72.12 110.206 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.01 -176.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 72.34 109.218 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.442 ' O ' ' NH1' ' A' 2018 ' ' ARG . 4.4 mm 60.69 150.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 72.52 109.359 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' 2017 ' ' ILE . 0.0 OUTLIER -179.04 129.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 70.15 110.41 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.496 HG11 HD13 ' A' 2022 ' ' LEU . 48.3 t -51.23 136.23 30.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 73.24 109.288 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.447 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.1 Cg_endo -75.01 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 74.24 111.024 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 1.5 pp -104.94 96.58 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 72.31 109.266 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.539 HD23 ' ND1' ' A' 2024 ' ' HIS . 3.2 tp -167.22 178.32 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 74.11 109.231 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.59 ' CE3' ' SD ' ' A' 2058 ' ' MET . 5.4 m0 -73.81 -51.42 16.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 74.22 108.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.539 ' ND1' HD23 ' A' 2022 ' ' LEU . 4.0 m80 -47.51 -22.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 75.23 109.693 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' 2029 ' ' GLU . 8.7 tp10 -72.95 -35.59 67.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 74.1 110.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -75.18 -32.05 61.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 52.01 111.046 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.745 ' HH2' HD11 ' A' 2078 ' ' LEU . 70.8 m95 -72.55 -49.8 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.016 -1.105 . . . . 74.4 108.016 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.08 -58.39 8.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 70.11 109.677 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.6 pp20? -68.29 -35.15 77.42 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.419 1.074 . . . . 74.21 110.416 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.81 -64.52 4.29 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.503 1.127 . . . . 44.13 111.13 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.127 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.9 tp -59.9 -32.6 70.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 71.33 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 12.5 mm-40 -53.29 -48.6 68.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.03 110.294 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -74.63 -50.18 18.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 73.45 110.19 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.609 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -51.46 -39.96 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 52.13 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.42 ' HG ' ' HD2' ' A' 2039 ' ' PHE . 3.2 t -76.99 -49.54 15.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 43.4 109.987 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -46.44 50.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 74.45 110.365 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' 2041 ' ' GLU . 4.4 pp -70.64 -46.11 63.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 63.33 109.245 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.531 ' HD1' HG12 ' A' 2044 ' ' VAL . 41.8 t80 -53.04 -46.79 68.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 74.32 111.036 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2039 ' ' PHE . . . . . 0.42 ' HD2' ' HG ' ' A' 2035 ' ' SER . 42.3 m-85 -77.31 -46.28 23.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.375 1.047 . . . . 73.2 110.982 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -83.42 -73.04 1.26 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.545 1.153 . . . . 61.43 111.042 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' 2037 ' ' LEU . 1.5 tp10 -48.07 -25.72 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 0.741 . . . . 73.12 110.369 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' 2037 ' ' LEU . 1.7 mmt180 63.38 20.87 12.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 73.52 110.406 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.506 ' O ' ' CD1' ' A' 2037 ' ' LEU . 1.9 m-20 -124.82 127.45 47.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 73.12 109.33 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2044 ' ' VAL . . . . . 1.089 HG11 HD21 ' A' 2097 ' ' LEU . 34.0 m -81.79 -12.85 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 63.15 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -33.85 64.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 72.24 109.246 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.793 ' O ' HG23 ' A' 2050 ' ' VAL . . . -70.44 -39.58 69.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.605 1.191 . . . . 73.34 111.048 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.609 ' HA ' ' HB1' ' A' 2034 ' ' ALA . 8.2 tmm? -64.88 -42.23 94.99 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.466 0.744 . . . . 74.11 111.016 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.609 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 11.9 m-85 -73.12 -38.32 66.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 71.34 111.039 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.539 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -76.38 -14.69 60.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.23 110.271 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.954 ' O ' HD22 ' A' 2054 ' ' LEU . 4.4 t -84.92 -42.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 73.34 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.589 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.7 -46.18 26.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 71.1 109.273 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.4 OUTLIER -35.3 -54.6 1.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 52.01 110.24 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.583 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.97 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.459 1.768 . . . . 64.21 110.962 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.11 -55.76 11.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 72.52 109.281 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 3.3 m-70 -60.07 -51.63 68.79 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.551 1.157 . . . . 64.44 109.669 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.92 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 71.21 109.401 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.51 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.28 -37.29 46.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 73.14 111.056 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.59 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -69.57 -31.34 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 53.31 110.978 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.29 -63.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 73.31 110.212 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' 2056 ' ' ALA . 17.4 ptp180 -72.17 -17.7 61.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 72.5 110.303 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.64 75.79 0.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 61.12 110.978 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.411 1.743 . . . . 71.15 110.963 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -146.33 -70.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 64.43 110.169 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.499 HG23 ' H ' ' A' 2066 ' ' LYS . 7.9 t -161.84 -171.81 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 63.2 110.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -65.63 -34.68 78.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 61.41 109.29 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2066 ' ' LYS . . . . . 0.499 ' H ' HG23 ' A' 2064 ' ' THR . 7.1 mttp -62.63 -32.65 73.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 71.51 109.254 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.94 -19.84 28.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.051 . . . . 63.21 110.316 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 4.3 m -64.18 -34.53 78.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 65.32 110.349 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.5 t -71.29 -33.55 69.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 65.34 109.991 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.544 ' HE2' HG22 ' A' 2111 ' ' ILE . 5.4 t80 -63.45 -54.14 41.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.15 111.05 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 2.4 t30 -62.43 -28.75 70.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 72.53 109.373 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.65 -43.71 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 60.03 110.251 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -54.28 -44.9 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 73.54 109.186 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.1 m-85 -98.97 -9.09 24.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 65.42 110.935 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -44.33 -47.57 8.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 44.13 111.067 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2076 ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -67.39 -27.38 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 63.51 110.363 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' 2074 ' ' TYR . 6.1 m-20 -80.77 -50.35 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 71.01 109.289 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.745 HD11 ' HH2' ' A' 2027 ' ' TRP . 9.3 mt -59.82 -41.54 91.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 72.43 109.33 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2079 ' ' MET . . . . . 0.518 ' CG ' ' N ' ' A' 2080 ' ' GLU . 11.6 ptm -69.08 -42.55 76.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 73.02 111.043 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' 2079 ' ' MET . 1.4 tt0 -67.05 -56.55 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 74.51 110.241 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -55.22 -41.83 72.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 63.52 109.211 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.63 -42.64 79.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 65.12 110.289 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.443 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.92 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.379 1.049 . . . . 72.12 110.301 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.21 -34.73 78.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 74.23 108.052 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.609 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.9 t -60.66 -55.78 29.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 74.45 108.325 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -32.16 65.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 75.23 110.18 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' 2091 ' ' SER . 9.3 mttt -61.41 -49.93 74.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 73.42 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.45 ' O ' ' HA2' ' A' 2092 ' ' GLY . 5.0 t80 -72.59 -31.89 65.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 61.41 110.918 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.461 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -67.3 -36.74 82.14 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.535 1.147 . . . . 75.33 110.925 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 -57.03 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.173 . . . . 54.12 109.341 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.1 t -63.23 -63.94 1.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 71.14 110.031 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 100.29 77.66 1.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 55.12 110.959 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.49 116.89 6.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.795 . . . . 62.22 109.33 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2094 ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' 2097 ' ' LEU . 3.0 t -54.97 -35.95 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 55.23 109.292 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -49.82 -51.6 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 73.33 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.24 109.225 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2097 ' ' LEU . . . . . 1.089 HD21 HG11 ' A' 2044 ' ' VAL . 2.5 tp -63.62 -46.85 83.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 73.33 109.262 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.0 m -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.12 110.422 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 73.12 110.392 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.441 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -61.62 -39.89 92.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 71.21 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.413 ' CE2' ' HG3' ' A' 2047 ' ' MET . 0.5 OUTLIER -68.42 -30.43 69.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.956 -1.127 . . . . 62.22 107.956 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.34 -50.38 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.34 109.27 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.706 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 13.7 mt -54.93 -51.67 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 64.04 109.359 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' 2100 ' ' ALA . 19.0 m-85 -53.57 -56.27 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 71.41 111.048 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.507 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.54 -37.14 25.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.25 110.995 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.04 79.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 74.52 109.558 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -72.3 -48.45 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 70.21 109.345 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.127 ' CG ' HD22 ' A' 2031 ' ' LEU . 14.5 m-85 -60.99 -29.8 69.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 74.41 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.5 tpt180 -77.14 -39.35 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.34 110.231 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -51.44 69.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 74.4 110.371 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.544 HG22 ' HE2' ' A' 2070 ' ' PHE . 14.5 pt -46.79 -27.84 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 65.03 109.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2112 ' ' SER . . . . . 0.448 ' C ' ' N ' ' A' 2114 ' ' GLN . 2.0 p -93.93 -50.62 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 55.41 110.025 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2113 ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' 2113 ' ' LYS . 0.2 OUTLIER -40.28 -30.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 73.14 109.253 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2114 ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' 2112 ' ' SER . 6.0 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.23 110.292 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.448 0.166 . . . . 71.23 110.976 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.19 -23.66 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 73.54 110.296 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' 2016 ' ' LEU . 0.3 OUTLIER -153.86 144.01 22.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 72.15 109.303 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.32 159.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 61.12 109.276 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.09 122.73 48.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 74.25 110.279 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 2.8 p -39.96 133.38 1.45 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 62.32 109.309 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.451 ' HA ' ' CD ' ' A' 2025 ' ' GLU . 18.1 Cg_endo -75.06 -37.7 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 73.34 111.019 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.454 ' O ' HD12 ' A' 2021 ' ' ILE . 1.7 pp -106.57 98.99 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 61.1 109.361 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.839 HD13 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -179.2 163.58 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 73.35 109.388 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.839 ' H ' HD13 ' A' 2022 ' ' LEU . 1.4 m0 -57.59 -48.35 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.951 -1.129 . . . . 73.32 107.951 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.725 ' ND1' HD12 ' A' 2022 ' ' LEU . 11.8 m80 -47.76 -30.46 3.94 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.567 1.167 . . . . 64.52 109.652 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.451 ' CD ' ' HA ' ' A' 2020 ' ' PRO . 4.5 tp10 -69.67 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.134 . . . . 70.32 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.3 OUTLIER -70.97 -39.43 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 74.22 111.007 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.745 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.3 m95 -65.5 -50.98 63.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.55 107.912 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2028 ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -52.9 -54.06 40.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.3 109.571 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' 2028 ' ' HIS . 4.1 mm-40 -67.29 -43.54 81.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 72.02 110.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.476 ' HA3' ' CD2' ' A' 2054 ' ' LEU . . . -53.86 -65.23 3.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 75.03 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.119 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.3 tp -58.75 -30.61 67.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 0.793 . . . . 75.03 109.29 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -54.03 -50.92 65.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 72.21 110.396 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.05 -51.57 13.2 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.525 1.14 . . . . 64.43 110.263 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -52.06 -43.96 64.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.411 1.069 . . . . 42.35 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' 2031 ' ' LEU . 60.1 p -72.36 -51.26 21.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 72.34 110.068 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -50.01 53.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 75.22 110.326 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' 2038 ' ' TYR . 4.2 pp -67.91 -45.08 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 70.52 109.302 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.648 ' N ' HD12 ' A' 2037 ' ' LEU . 46.7 t80 -56.04 -50.51 70.74 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 74.23 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -76.43 -45.74 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 71.42 111.014 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -79.5 -71.97 1.22 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 64.23 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' 2042 ' ' ARG . 4.3 tp10 -49.15 -43.88 42.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 61.41 110.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' 2041 ' ' GLU . 4.2 tpt180 86.38 11.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.621 1.2 . . . . 64.12 110.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.435 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 11.5 m-20 -112.27 125.42 54.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 74.1 109.3 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.965 HG11 HD21 ' A' 2097 ' ' LEU . 30.8 m -81.95 -26.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 71.33 109.3 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.25 -39.35 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.02 109.26 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' 2050 ' ' VAL . . . -61.74 -52.09 53.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.427 1.079 . . . . 73.12 111.004 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.469 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 5.9 tmm? -52.6 -41.35 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 71.32 110.988 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.638 ' CE2' ' CE2' ' A' 2088 ' ' TYR . 31.5 m-85 -67.7 -38.09 83.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 70.44 111.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.517 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.2 mt-10 -75.16 -15.1 60.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.384 1.053 . . . . 71.53 110.369 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.54 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.6 t -84.07 -45.58 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.614 1.196 . . . . 60.02 109.368 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.645 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -75.92 -43.48 44.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 74.31 109.264 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.497 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 1.6 mt-10 -35.16 -57.03 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 74.02 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.54 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.93 -46.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.438 1.757 . . . . 73.41 111.022 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.518 ' HG ' ' CG ' ' A' 2026 ' ' MET . 0.2 OUTLIER -49.63 -56.12 11.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.561 1.163 . . . . 73.35 109.289 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.451 ' CD2' ' HB3' ' A' 2051 ' ' LEU . 9.1 m-70 -60.25 -52.54 64.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 73.51 109.556 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.56 -51.03 39.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 73.43 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.477 ' CE ' ' HG3' ' A' 2026 ' ' MET . 0.0 OUTLIER -51.71 -39.93 59.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 63.5 111.068 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.672 ' CE ' ' CD2' ' A' 2023 ' ' TRP . 0.4 OUTLIER -73.41 -25.87 60.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 70.35 110.966 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.7 mt-10 -77.85 -63.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.649 1.218 . . . . 74.5 110.364 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' 2056 ' ' ALA . 19.1 ptt180 -68.02 -27.14 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.13 110.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -131.77 91.09 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 51.04 111.002 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.496 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -75.04 -96.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.812 . . . . 73.14 110.925 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.455 ' NE2' ' CD1' ' A' 2023 ' ' TRP . 0.0 OUTLIER 177.39 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.459 1.099 . . . . 72.42 110.273 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' 2065 ' ' LEU . 2.1 t -163.49 177.4 8.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.15 110.457 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -58.7 -26.56 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.629 1.206 . . . . 73.14 109.33 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -67.99 -52.78 31.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 71.04 109.312 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -68.8 -23.76 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.345 1.028 . . . . 61.15 110.357 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 27.8 m -55.11 -26.95 41.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 73.22 110.449 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 33.9 t -74.05 -33.75 63.82 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.458 1.099 . . . . 65.1 109.916 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.419 ' CE2' ' CE3' ' A' 2023 ' ' TRP . 5.1 t80 -72.39 -53.52 12.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 75.11 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' 2075 ' ' GLY . 18.3 t-20 -54.84 -31.7 59.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.607 1.192 . . . . 74.35 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -41.28 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 54.55 110.381 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.45 89.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.11 109.24 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.509 ' CD2' ' HB ' ' A' 2107 ' ' VAL . 2.0 m-85 -91.38 -19.72 22.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 75.13 110.994 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' 2074 ' ' TYR . . . -34.82 -48.87 0.73 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 72.41 110.978 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -72.81 -43.61 62.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 64.34 110.355 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 2074 ' ' TYR . 11.9 m-20 -56.21 -65.61 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.5 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.745 HD11 ' HH2' ' A' 2027 ' ' TRP . 8.0 mt -52.54 -33.59 46.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.25 109.389 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2079 ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' 2075 ' ' GLY . 1.9 mtt -57.58 -47.32 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.42 111.001 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -66.49 -56.64 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 74.42 110.407 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -57.0 -41.69 78.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 75.21 109.304 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2082 ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -62.05 -35.02 77.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.311 1.007 . . . . 53.35 110.358 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.517 ' HA ' ' HD3' ' A' 2086 ' ' ARG . 0.0 OUTLIER -67.51 -37.47 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 65.41 110.276 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.405 ' HA ' ' HB3' ' A' 2087 ' ' LYS . 99.1 m95 -76.11 -21.0 57.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 72.11 107.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 3.3 t -70.68 -60.34 2.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 73.31 108.317 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.517 ' HD3' ' HA ' ' A' 2083 ' ' GLU . 2.6 ptt-85 -66.26 -27.36 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 70.44 110.343 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -69.32 -35.66 76.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.579 1.175 . . . . 73.43 109.32 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.638 ' CE2' ' CE2' ' A' 2048 ' ' PHE . 6.9 t80 -73.22 -46.3 51.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 63.5 111.013 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -33.93 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 73.22 111.01 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -49.56 7.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 72.4 109.297 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.2 t -78.79 -69.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 75.41 110.03 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.26 92.06 2.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 70.5 111.064 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.3 130.74 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 65.43 109.209 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -64.93 -50.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 75.02 109.365 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -49.3 -48.57 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 74.21 109.364 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -44.46 90.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 72.02 109.282 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.965 HD21 HG11 ' A' 2044 ' ' VAL . 3.0 tp -53.56 -49.99 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 74.42 109.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 55.0 m -59.68 -39.09 83.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 75.22 110.341 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.53 -47.81 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.14 110.289 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.26 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 50.2 109.306 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -31.32 66.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.571 1.169 . . . . 74.15 108.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -50.69 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 70.32 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.722 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 16.8 mt -55.7 -50.36 70.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 55.52 109.264 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' 2107 ' ' VAL . 9.4 m-85 -54.25 -55.28 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 55.3 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.13 -39.85 30.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 72.31 110.963 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -47.76 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 72.21 109.631 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' 2103 ' ' LEU . 0.6 OUTLIER -71.35 -48.51 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 63.43 109.293 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.119 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.0 m-85 -59.75 -31.06 69.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 73.15 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' 2105 ' ' TYR . 14.0 ttp180 -77.95 -35.01 50.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 73.11 110.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -52.11 63.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.416 1.072 . . . . 73.41 110.331 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.595 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 12.6 pt -44.61 -34.7 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 51.45 109.253 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2112 ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.6 OUTLIER -79.73 -53.41 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 52.11 109.939 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2113 ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' 2112 ' ' SER . 8.6 mptt -40.25 111.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 71.13 109.375 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.2 110.182 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.453 0.168 . . . . 71.32 110.981 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -89.42 -8.38 53.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 74.13 110.218 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.81 174.64 7.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.169 . . . . 75.33 109.26 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 3.6 mp 63.29 139.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.609 1.193 . . . . 73.05 109.287 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.98 141.29 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 75.02 110.35 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' 2020 ' ' PRO . 54.7 t -62.03 140.05 95.88 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 73.01 109.387 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.615 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.1 Cg_endo -74.96 -90.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.509 1.794 . . . . 74.11 111.016 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.743 ' O ' HD12 ' A' 2021 ' ' ILE . 2.0 pp -62.42 81.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 72.25 109.273 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.573 HD13 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -147.34 153.48 39.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 72.1 109.304 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.573 ' H ' HD13 ' A' 2022 ' ' LEU . 5.7 m0 -51.98 -54.74 26.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.452 1.095 . . . . 72.21 108.1 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.8 m170 -47.35 -22.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 75.22 109.578 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' 2022 ' ' LEU . 6.4 tp10 -72.3 -38.67 68.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 63.11 110.331 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.542 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.92 -31.53 66.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.143 . . . . 74.54 111.053 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.769 ' HH2' HD11 ' A' 2078 ' ' LEU . 57.0 m95 -69.25 -50.54 46.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 75.44 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -56.36 -53.73 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 71.3 109.693 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.9 mm-40 -65.51 -38.56 90.05 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.51 1.131 . . . . 73.11 110.266 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -55.16 -65.32 3.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.375 1.047 . . . . 64.03 110.903 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.046 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.9 mt -58.12 -31.08 66.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 74.51 109.36 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.5 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.87 -50.54 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 71.25 110.292 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.5 ' N ' ' HG2' ' A' 2032 ' ' GLU . 2.7 tt0 -73.57 -45.79 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 74.34 110.326 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.803 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -55.4 -49.43 72.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 43.2 109.262 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 22.8 p -60.4 -43.81 96.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 72.55 109.922 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' 2040 ' ' GLY . 1.9 ttt-85 -55.96 -37.51 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.03 110.337 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.597 HD13 ' C ' ' A' 2046 ' ' GLY . 2.4 mt -71.61 -34.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.386 1.054 . . . . 63.33 109.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' 2041 ' ' GLU . 84.0 t80 -76.67 -53.39 8.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 73.11 111.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -75.08 -45.41 41.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 72.1 111.02 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -61.95 -53.28 44.15 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.456 1.098 . . . . 60.11 111.011 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' 2037 ' ' LEU . 5.7 pt-20 -132.02 -172.0 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 74.44 110.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.78 30.65 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 72.21 110.332 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.526 ' ND2' ' CG ' ' A' 2045 ' ' LYS . 2.2 t30 -102.48 87.57 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 70.23 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.573 HG12 ' CD2' ' A' 2048 ' ' PHE . 6.4 t -68.15 -21.64 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 73.35 109.294 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.526 ' CG ' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -52.9 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 75.12 109.322 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.724 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.97 -54.69 27.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.409 1.068 . . . . 71.41 111.059 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.803 ' CG ' ' HB1' ' A' 2034 ' ' ALA . 12.5 tmm? -54.72 -49.05 71.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.426 0.721 . . . . 74.43 111.006 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.609 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.6 m-85 -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 74.33 110.949 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.8 mm-40 -76.24 -13.74 60.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 72.44 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' 2046 ' ' GLY . 24.2 t -83.28 -44.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.652 1.22 . . . . 54.13 109.358 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.656 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.83 -45.47 28.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 74.02 109.295 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.5 mm-40 -34.5 -54.63 0.92 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.595 1.184 . . . . 74.43 110.305 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.8 Cg_endo -75.1 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.587 1.835 . . . . 64.42 110.915 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.672 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.29 -55.76 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.331 1.019 . . . . 73.24 109.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 3.3 m-70 -59.85 -51.88 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 74.41 109.562 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.16 -49.62 63.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.512 1.133 . . . . 53.32 109.344 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.63 -37.63 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 63.33 110.974 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.534 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -68.15 -35.83 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 64.12 110.967 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.99 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 64.42 110.33 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.5 ptm85 -69.97 -22.04 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 71.55 110.335 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.93 80.67 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 72.14 111.042 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -161.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.579 1.831 . . . . 70.12 111.038 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.416 ' O ' ' HB ' ' A' 2064 ' ' THR . 2.8 mm-40 -142.58 -68.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.542 1.152 . . . . 72.43 110.38 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.589 HG23 ' HB2' ' A' 2066 ' ' LYS . 5.1 t -176.51 172.29 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 73.45 110.381 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.1 OUTLIER -47.77 -29.47 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 62.41 109.228 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2066 ' ' LYS . . . . . 0.589 ' HB2' HG23 ' A' 2064 ' ' THR . 1.3 mttp -67.05 -51.53 53.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 74.35 109.341 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.551 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 7.7 mm-40 -70.73 -25.05 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.54 110.281 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 18.1 m -54.53 -34.33 61.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 74.21 110.37 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -41.54 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 73.44 110.089 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.506 ' HE2' HG22 ' A' 2111 ' ' ILE . 9.2 t80 -61.94 -53.64 52.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 72.45 110.999 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 4.7 t30 -58.42 -30.65 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 71.03 109.32 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -79.56 -35.34 39.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 52.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -58.98 -27.97 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 73.4 109.25 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.783 ' HD1' HG22 ' A' 2107 ' ' VAL . 56.1 m-85 -114.33 -18.02 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 73.13 110.993 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.45 -43.57 0.54 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.401 1.063 . . . . 75.05 110.921 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -41.91 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 75.03 110.343 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.2 m-20 -57.92 -61.89 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 70.24 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.769 HD11 ' HH2' ' A' 2027 ' ' TRP . 29.6 mt -51.78 -35.84 45.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 64.12 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.41 81.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 63.04 111.033 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.498 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 39.7 tt0 -64.33 -60.05 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 70.41 110.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.527 ' HB1' ' CZ ' ' A' 2104 ' ' TYR . . . -52.37 -41.95 63.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 31.15 109.369 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2082 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.3 tt0 -59.02 -39.17 81.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 72.21 110.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.519 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.08 -35.71 82.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 75.5 110.182 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.82 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.1 m95 -74.88 -24.06 58.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.975 -1.12 . . . . 74.43 107.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.609 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -69.75 -58.93 3.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 74.22 108.349 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.5 OUTLIER -64.8 -27.78 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.41 110.307 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.452 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.57 -35.07 72.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 71.51 109.376 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2088 ' ' TYR . . . . . . . . . . . . . 16.0 t80 -74.82 -51.32 14.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 73.33 110.991 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.6 mtt -59.69 -34.29 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 73.55 110.941 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.456 ' O ' ' HD3' ' A' 2090 ' ' LYS . 0.0 OUTLIER -68.49 -59.02 3.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 71.12 109.233 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.76 70.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 63.13 110.057 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -118.6 -150.39 8.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.585 1.178 . . . . 52.04 110.955 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t30 -147.66 159.45 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.395 0.703 . . . . 63.32 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.93 -41.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 75.34 109.207 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -49.48 50.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 53.32 109.289 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -42.48 94.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 65.1 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' 2097 ' ' LEU . 0.3 OUTLIER -58.6 -45.05 89.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 62.12 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 22.6 m -59.5 -46.82 87.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 72.21 110.399 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 61.32 110.213 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.58 -41.57 77.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 64.33 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2101 ' ' TRP . . . . . 1.046 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -65.33 -33.99 77.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.879 -1.156 . . . . 71.12 107.879 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -50.34 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 64.25 109.253 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.1 mp -59.45 -49.19 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.51 109.282 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.527 ' CZ ' ' HB1' ' A' 2081 ' ' ALA . 11.3 m-85 -59.25 -50.22 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 65.12 110.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2105 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.52 -48.17 38.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 64.32 110.965 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.045 . . . . 75.2 109.567 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.783 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.8 t -62.51 -56.61 16.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 64.11 109.243 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.752 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 36.8 m-85 -65.33 -28.23 69.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 74.14 111.001 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2109 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -25.34 57.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.383 1.052 . . . . 72.43 110.282 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -51.46 10.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.3 110.319 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.578 HG23 ' OH ' ' A' 2074 ' ' TYR . 13.6 pt -44.71 -30.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 75.53 109.292 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 6.1 t -86.24 -54.58 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 53.32 109.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 61.05 109.246 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 53.04 110.26 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.585 0.231 . . . . 61.1 110.915 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -108.42 -10.85 15.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 70.05 110.299 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.58 -2.08 57.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.604 1.19 . . . . 64.44 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 3.8 mt -105.02 136.44 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 63.24 109.299 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 115.16 29.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 73.44 110.346 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' 2020 ' ' PRO . 80.0 t -118.72 142.12 31.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 72.45 109.359 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.1 Cg_endo -74.96 -43.21 0.42 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.511 1.795 . . . . 74.04 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.632 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -97.82 74.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 73.0 109.248 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.624 HD23 HG11 ' A' 2019 ' ' VAL . 0.1 OUTLIER -141.66 -159.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.11 109.31 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.542 ' H ' HD12 ' A' 2022 ' ' LEU . 4.9 m0 -69.89 -51.23 34.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 73.32 107.973 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.9 m80 -46.11 -23.21 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 74.13 109.613 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' 2029 ' ' GLU . 3.4 tt0 -70.41 -40.55 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 71.14 110.271 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.574 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.1 OUTLIER -69.36 -32.37 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 53.14 110.962 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.804 ' HH2' HD11 ' A' 2078 ' ' LEU . 61.2 m95 -68.2 -50.68 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.957 -1.127 . . . . 74.34 107.957 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2028 ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -60.94 -53.17 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 74.53 109.695 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' 2025 ' ' GLU . 4.0 mm-40 -58.79 -44.92 90.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.22 110.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -51.33 -63.78 4.36 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.462 1.101 . . . . 71.22 111.068 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.046 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.4 mt -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 0.702 . . . . 74.54 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -55.13 31.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 70.52 110.317 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.73 -46.42 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 72.12 110.353 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.672 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -52.51 -48.96 65.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 73.11 109.283 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 84.0 p -62.12 -41.75 98.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 73.31 110.031 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -35.24 69.74 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.43 1.081 . . . . 72.34 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.818 HD13 ' C ' ' A' 2046 ' ' GLY . 1.5 mt -70.69 -45.63 64.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 60.11 109.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.422 ' HD1' HG22 ' A' 2044 ' ' VAL . 48.7 t80 -54.9 -55.54 29.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 74.21 111.078 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2039 ' ' PHE . . . . . 0.406 ' CE1' ' HD2' ' A' 2038 ' ' TYR . 31.5 m-85 -74.91 -31.42 61.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 74.22 110.998 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -47.49 -69.47 0.9 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.604 1.19 . . . . 63.41 110.99 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.438 ' CD ' ' ND2' ' A' 2043 ' ' ASN . 2.3 pt-20 -147.47 49.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 71.3 110.235 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 41.49 36.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 72.35 110.299 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.438 ' ND2' ' CD ' ' A' 2041 ' ' GLU . 61.3 m-20 -101.1 84.02 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 74.45 109.266 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.794 HG12 ' CE2' ' A' 2048 ' ' PHE . 41.8 t -64.15 -21.46 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.498 1.123 . . . . 73.22 109.282 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.29 -41.19 60.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.37 1.044 . . . . 70.4 109.249 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.884 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.83 -54.49 28.06 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 34.43 111.078 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.619 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 10.6 tmm? -57.13 -51.82 67.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 73.14 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.794 ' CE2' HG12 ' A' 2044 ' ' VAL . 9.4 m-85 -51.42 -45.18 62.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 72.1 111.015 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 7.5 pt-20 -74.26 -15.09 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 62.05 110.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' 2046 ' ' GLY . 46.1 t -85.64 -44.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.327 1.017 . . . . 65.33 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -77.07 -42.54 37.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 73.31 109.276 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' 2048 ' ' PHE . 2.8 mt-10 -37.97 -55.15 2.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 73.43 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.1 Cg_endo -75.04 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.389 1.731 . . . . 64.24 110.981 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.741 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -47.77 -55.55 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.22 109.312 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.407 ' O ' ' HG3' ' A' 2059 ' ' GLU . 4.7 m-70 -60.43 -52.57 64.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 60.33 109.653 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.12 -51.29 58.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 24.14 109.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.528 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.14 -38.56 39.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 44.12 110.977 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.574 ' HE3' ' CE ' ' A' 2026 ' ' MET . 3.5 mmt -70.19 -30.5 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.387 1.054 . . . . 65.4 110.958 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.8 mt-10 -77.98 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 62.11 110.355 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' 2056 ' ' ALA . 9.7 ptm180 -72.57 -19.88 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 73.53 110.353 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.26 84.28 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 72.31 110.938 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.05 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.457 1.767 . . . . 65.11 110.968 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -68.41 0.33 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.566 1.166 . . . . 54.43 110.354 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' 2065 ' ' LEU . 1.4 t -175.21 174.18 2.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.451 1.095 . . . . 73.5 110.352 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.3 OUTLIER -57.49 -28.54 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 70.11 109.301 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 6.1 tptt -68.01 -35.61 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 65.22 109.335 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.6 -19.3 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 62.54 110.33 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 2.6 m -54.34 -36.29 63.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 65.11 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -37.03 86.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 72.41 110.084 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.577 ' HE2' HG21 ' A' 2111 ' ' ILE . 0.6 OUTLIER -71.18 -52.09 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.1 110.958 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.505 ' N ' ' CD1' ' A' 2070 ' ' PHE . 1.6 t-20 -54.08 -32.99 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 71.35 109.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -79.2 -42.31 26.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.11 110.222 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -49.08 -39.16 26.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 71.14 109.292 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.781 ' HD1' HG22 ' A' 2107 ' ' VAL . 54.5 m-85 -106.07 -18.02 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.52 110.977 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -36.7 -45.73 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 73.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -42.73 23.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 65.34 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.24 -60.91 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.23 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.804 HD11 ' HH2' ' A' 2027 ' ' TRP . 21.6 mt -51.88 -36.25 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 74.34 109.201 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -48.22 82.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 64.13 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.33 110.311 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.53 -41.91 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 62.14 109.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2082 ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.3 tp60 -55.55 -43.27 75.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 73.4 110.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -35.84 81.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.34 110.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.551 ' CZ3' ' NZ ' ' A' 2087 ' ' LYS . 91.4 m95 -64.7 -33.48 76.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.02 107.97 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 7.7 t -67.44 -56.62 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.43 108.236 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.14 -37.47 66.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 73.53 110.253 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.551 ' NZ ' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -63.85 -40.86 97.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.15 109.335 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.586 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.5 OUTLIER -73.66 -37.8 65.17 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.536 1.147 . . . . 60.2 111.023 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.672 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.3 mtt -65.0 -33.43 76.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 64.22 111.035 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.0 -42.92 10.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.664 1.227 . . . . 74.11 109.192 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 2.7 t -83.42 -69.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 64.12 110.011 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.17 89.56 2.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 53.0 111.038 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -159.4 120.07 3.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.41 109.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -50.76 -39.45 18.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 71.01 109.303 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -51.63 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 62.51 109.33 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -36.92 85.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 74.01 109.215 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.718 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -63.26 -48.56 77.65 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.5 1.125 . . . . 53.13 109.342 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 54.9 m -57.45 -41.39 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 73.33 110.439 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.65 -45.41 94.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 53.13 110.228 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.56 82.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 62.33 109.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.624 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.1 OUTLIER -62.94 -30.39 71.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 72.22 107.961 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -50.57 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 74.3 109.324 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.773 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 10.7 mt -57.07 -45.46 83.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 73.31 109.334 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.79 -46.77 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 73.32 111.043 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.489 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.51 -49.94 33.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 75.14 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -62.53 -43.55 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 71.43 109.665 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.781 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.6 t -62.83 -56.94 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.418 1.074 . . . . 53.12 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.046 ' CG ' HD11 ' A' 2031 ' ' LEU . 23.2 m-85 -64.09 -27.9 69.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 73.55 110.978 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' 2105 ' ' TYR . 14.9 ttm-85 -74.2 -25.73 59.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 73.35 110.353 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -52.01 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 62.35 110.272 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.728 HG23 ' OH ' ' A' 2074 ' ' TYR . 0.5 OUTLIER -56.48 -19.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 65.51 109.255 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -46.01 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 64.03 109.933 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2113 ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' 2114 ' ' GLN . 1.3 ttpt -50.14 137.91 16.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 72.55 109.25 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2114 ' ' GLN . . . . . 0.415 ' N ' ' HG3' ' A' 2113 ' ' LYS . 47.6 mt-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 64.02 110.377 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.6 mtm . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.417 0.151 . . . . 72.32 110.961 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -111.5 -8.99 14.23 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.568 1.168 . . . . 73.24 110.369 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -89.2 175.74 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 75.15 109.271 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 2.6 mm 61.96 148.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.065 . . . . 75.22 109.393 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' 2018 ' ' ARG . 11.3 mmp_? -141.89 143.91 33.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 74.01 110.324 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.45 ' CG2' HG12 ' A' 2021 ' ' ILE . 0.2 OUTLIER -128.64 136.69 29.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 51.43 109.315 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -23.78 13.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.416 1.745 . . . . 52.2 110.99 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.45 HG12 ' CG2' ' A' 2019 ' ' VAL . 0.1 OUTLIER -105.67 93.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 71.41 109.353 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -170.16 -159.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.575 1.172 . . . . 64.15 109.327 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.603 ' CD1' ' HE2' ' A' 2058 ' ' MET . 1.4 m0 -71.56 -51.82 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 75.42 107.916 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.4 m80 -47.01 -24.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 70.41 109.554 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' 2023 ' ' TRP . 31.5 tt0 -70.73 -35.39 72.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 74.22 110.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.532 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.1 -32.57 65.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 72.44 110.968 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.791 ' HH2' HD11 ' A' 2078 ' ' LEU . 62.6 m95 -69.03 -50.36 49.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.35 107.965 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -54.61 42.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 62.43 109.609 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.63 -43.95 87.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 70.22 110.323 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -55.31 -64.03 4.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 52.4 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.141 HD22 ' CG ' ' A' 2108 ' ' PHE . 5.3 tp -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 73.42 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.19 -53.36 54.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 72.22 110.292 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -51.0 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 52.15 110.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.823 ' HB2' HG11 ' A' 2050 ' ' VAL . . . -54.15 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 73.05 109.281 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' 2031 ' ' LEU . 85.1 p -57.78 -48.97 78.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 64.44 110.062 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.502 ' O ' ' CA ' ' A' 2040 ' ' GLY . 1.2 ttt180 -52.74 -37.53 59.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 65.42 110.24 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.63 HD23 ' HB3' ' A' 2042 ' ' ARG . 6.6 mt -71.57 -33.62 69.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 74.22 109.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 20.4 t80 -78.9 -57.94 3.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.336 1.022 . . . . 73.12 110.952 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -76.13 -45.18 34.96 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.551 1.157 . . . . 72.33 110.953 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -77.26 -9.73 86.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 71.54 110.932 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' 2042 ' ' ARG . 6.3 tt0 61.17 142.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.5 0.764 . . . . 61.44 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.63 ' HB3' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER 174.31 -53.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 72.23 110.337 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 170.95 104.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.536 1.148 . . . . 65.15 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.7 t -45.6 -31.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 72.42 109.275 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.504 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -52.16 -36.74 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.621 1.201 . . . . 74.41 109.393 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -59.64 -53.83 42.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 70.32 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.906 ' O ' HD22 ' A' 2051 ' ' LEU . 7.2 tmm? -52.25 -47.66 65.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 0.73 . . . . 74.41 111.039 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.704 ' CD2' ' HE3' ' A' 2089 ' ' MET . 13.9 m-85 -63.8 -36.0 82.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 73.33 110.999 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.545 ' O ' ' CD ' ' A' 2053 ' ' PRO . 1.8 mm-40 -74.22 -15.13 61.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 70.15 110.231 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.823 HG11 ' HB2' ' A' 2034 ' ' ALA . 0.5 OUTLIER -83.82 -44.84 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 71.31 109.362 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' 2047 ' ' MET . 0.4 OUTLIER -77.15 -45.93 25.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 43.31 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.1 OUTLIER -34.31 -54.62 0.88 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 65.33 110.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.573 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.02 -51.52 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 63.5 111.035 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.532 HD22 ' SD ' ' A' 2026 ' ' MET . 70.1 mt -50.05 -56.53 10.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.509 1.131 . . . . 62.21 109.341 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' 2051 ' ' LEU . 28.9 m170 -58.29 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 74.32 109.584 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.79 -48.45 63.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.517 1.136 . . . . 54.14 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.504 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.7 -37.86 52.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 74.44 111.013 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.603 ' HE2' ' CD1' ' A' 2023 ' ' TRP . 0.3 OUTLIER -70.68 -35.33 72.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 64.11 110.956 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.4 mm-40 -69.02 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 74.54 110.366 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' 2062 ' ' PRO . 34.2 ptt180 -71.48 -34.54 70.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.36 1.038 . . . . 73.21 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.5 78.59 0.28 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 70.32 111.034 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.93 -94.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.783 . . . . 65.5 111.015 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.474 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.8 OUTLIER 176.09 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 70.12 110.32 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.441 HG23 ' H ' ' A' 2066 ' ' LYS . 3.0 t -176.65 176.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 72.32 110.361 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.422 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.2 OUTLIER -48.6 -26.22 2.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 73.2 109.293 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2066 ' ' LYS . . . . . 0.441 ' H ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -69.74 -52.36 26.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 62.14 109.353 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.474 ' HG3' ' CB ' ' A' 2063 ' ' GLN . 23.3 mm-40 -72.91 -19.83 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 62.33 110.269 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.8 m -54.09 -34.58 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 54.0 110.427 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -34.98 63.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.066 . . . . 74.45 109.957 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.642 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 4.4 t80 -66.6 -54.24 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 75.32 110.968 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 2075 ' ' GLY . 5.6 t-20 -56.86 -30.34 63.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 74.54 109.311 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.55 -35.54 63.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 63.22 110.304 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.75 77.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 72.43 109.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.642 ' CE2' ' CE1' ' A' 2070 ' ' PHE . 27.3 m-85 -93.75 -19.94 20.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 72.43 111.028 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.42 -40.92 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 40.41 110.983 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -80.92 -55.49 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.383 0.696 . . . . 74.3 110.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.33 -59.5 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 62.21 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.791 HD11 ' HH2' ' A' 2027 ' ' TRP . 10.2 mt -52.19 -37.14 53.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.03 109.346 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2079 ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -55.92 -48.01 76.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 71.34 111.012 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.52 -54.8 30.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 1.163 . . . . 71.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -58.25 -41.36 84.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 65.41 109.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -34.19 73.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.487 1.117 . . . . 75.52 110.294 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -70.67 -38.14 73.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.33 110.412 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.0 m95 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 75.33 107.957 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 17.2 m -75.06 -58.59 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 62.04 108.215 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.525 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 3.4 ptt85 -66.29 -27.47 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 73.33 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.56 -48.35 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 64.52 109.277 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.531 ' CZ ' HD22 ' A' 2097 ' ' LEU . 6.0 t80 -67.31 -34.59 77.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 61.24 111.018 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.704 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -69.73 -35.91 75.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 65.11 110.918 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -68.04 -58.16 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 71.44 109.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.22 67.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.41 109.97 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -114.76 -141.3 7.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.409 1.068 . . . . 64.22 111.035 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.13 162.92 36.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 65.43 109.236 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.46 -42.31 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 64.33 109.338 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2095 ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -49.76 -34.13 18.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 73.52 109.283 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2096 ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' 2095 ' ' LYS . 12.9 m-20 -75.93 -43.72 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 70.2 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' 2097 ' ' LEU . 2.5 tp -60.68 -44.21 96.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.14 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -64.41 -44.14 92.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 65.35 110.383 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -54.91 -44.39 74.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 75.22 110.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' 2104 ' ' TYR . . . -63.84 -43.39 96.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 72.21 109.309 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' A' 2031 ' ' LEU . 1.1 m95 -59.8 -31.62 69.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 61.41 107.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -51.06 48.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 72.3 109.338 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 17.4 mt -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.341 1.026 . . . . 63.14 109.305 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.639 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 3.3 m-85 -57.41 -56.19 25.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.19 . . . . 71.12 110.973 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.549 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.84 -37.01 18.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 73.21 110.923 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -55.54 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.43 1.081 . . . . 70.34 109.612 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' 2104 ' ' TYR . 1.5 m -66.78 -45.92 86.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 62.42 109.339 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.141 ' CG ' HD22 ' A' 2031 ' ' LEU . 11.2 m-85 -63.09 -30.31 71.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 75.12 111.015 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' 2105 ' ' TYR . 3.5 ttt180 -80.04 -29.04 39.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 74.41 110.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -70.75 -52.32 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 74.12 110.319 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 5.6 pt -44.09 -34.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 75.21 109.334 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.4 m -84.41 -54.56 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 71.34 110.012 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.36 114.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 73.14 109.215 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.185 . . . . 75.3 110.251 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 11.2 mtm . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.442 0.163 . . . . 70.42 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.0 -24.53 11.17 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.589 1.18 . . . . 72.3 110.224 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 43.73 46.72 6.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.61 1.194 . . . . 74.13 109.346 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 1.6 mm -119.33 140.37 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.607 1.192 . . . . 71.34 109.361 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -161.86 103.64 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 62.41 110.326 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.428 HG23 ' HD2' ' A' 2020 ' ' PRO . 0.2 OUTLIER -124.67 137.61 29.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 54.25 109.292 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.553 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.1 Cg_endo -75.05 -26.87 10.42 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.528 1.804 . . . . 62.52 111.008 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.553 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -111.11 95.36 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.567 1.167 . . . . 70.11 109.268 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.801 HD13 ' H ' ' A' 2023 ' ' TRP . 0.1 OUTLIER 179.91 177.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.397 1.061 . . . . 63.51 109.425 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.801 ' H ' HD13 ' A' 2022 ' ' LEU . 9.7 m0 -50.15 -48.32 53.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.989 -1.115 . . . . 74.44 107.989 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.628 ' NE2' ' CZ ' ' A' 2070 ' ' PHE . 7.4 m80 -48.35 -25.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 64.41 109.647 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' A' 2022 ' ' LEU . 55.6 tt0 -70.62 -33.32 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.053 . . . . 52.31 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.963 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 73.22 110.998 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.784 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.4 m95 -70.92 -51.6 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 73.05 108.063 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2028 ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.2 OUTLIER -58.79 -58.85 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 71.35 109.65 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.432 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 5.4 pt-20 -59.94 -29.79 68.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 75.31 110.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.45 -64.53 4.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 42.51 110.959 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.127 HD22 ' CH2' ' A' 2101 ' ' TRP . 71.6 mt -63.66 -31.9 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 0.721 . . . . 64.21 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 2.3 mm-40 -52.14 -51.55 57.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.383 1.052 . . . . 72.15 110.353 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.49 -49.16 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 73.34 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.558 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -51.98 -48.91 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.607 1.192 . . . . 55.33 109.367 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' 2031 ' ' LEU . 13.0 t -67.66 -41.71 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 71.21 109.992 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -52.42 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 72.13 110.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.54 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 4.2 pp -71.46 -39.82 70.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 74.43 109.242 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' 2037 ' ' LEU . 36.9 t80 -53.39 -55.08 27.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 64.12 110.948 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -74.01 -33.28 63.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 72.22 111.065 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -68.57 -60.58 5.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 64.1 111.063 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -121.84 143.92 49.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.619 0.835 . . . . 64.43 110.372 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 57.5 mmt-85 -71.33 58.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 65.11 110.334 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -130.38 90.72 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.25 109.245 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.79 HG12 ' CE2' ' A' 2048 ' ' PHE . 48.7 t -66.94 -21.16 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 70.2 109.344 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -39.06 56.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.426 1.079 . . . . 60.13 109.247 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.863 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.4 -53.43 35.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 62.4 111.032 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.665 ' HE1' HG13 ' A' 2044 ' ' VAL . 27.5 ttp -61.35 -43.45 98.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 64.2 111.092 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.79 ' CE2' HG12 ' A' 2044 ' ' VAL . 8.1 m-85 -61.89 -42.1 98.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 74.45 110.988 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.57 ' O ' ' CD ' ' A' 2053 ' ' PRO . 12.1 pt-20 -75.87 -13.24 60.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 75.3 110.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' 2046 ' ' GLY . 20.4 t -83.1 -44.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.445 1.091 . . . . 74.15 109.318 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.86 -46.03 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 73.22 109.303 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.15 -55.48 0.81 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 70.34 110.297 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.57 ' CD ' ' O ' ' A' 2049 ' ' GLU . 17.7 Cg_endo -75.13 -50.58 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.543 1.812 . . . . 65.42 110.962 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.963 HD22 ' SD ' ' A' 2026 ' ' MET . 14.9 mt -49.19 -56.93 7.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 74.5 109.357 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' 2051 ' ' LEU . 5.4 m-70 -59.49 -52.16 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 60.44 109.623 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.15 -48.14 61.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 73.24 109.26 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 73.54 111.011 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.74 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.6 OUTLIER -68.61 -33.5 74.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 53.55 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.4 mm-40 -71.77 -63.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 74.31 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.2 ptt85 -72.81 -16.68 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 74.43 110.235 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' 2057 ' ' MET . . . -119.06 76.11 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.557 1.16 . . . . 44.24 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -74.95 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.467 1.772 . . . . 75.34 111.032 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.453 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 1.7 tt0 -147.56 -70.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 71.33 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' 2066 ' ' LYS . 4.1 t -172.66 170.85 4.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 53.32 110.433 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' 2065 ' ' LEU . 3.1 mm? -55.98 -27.65 53.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 74.04 109.331 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2066 ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' 2064 ' ' THR . 17.8 mmtt -68.18 -34.75 76.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 75.33 109.333 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.453 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 2.1 tp10 -84.59 -22.49 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 75.35 110.31 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.3 m -54.44 -45.04 72.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 72.01 110.413 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2069 ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' 2073 ' ' ALA . 0.6 OUTLIER -53.42 -34.8 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 52.44 109.984 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.628 ' CZ ' ' NE2' ' A' 2024 ' ' HIS . 0.9 OUTLIER -74.27 -53.29 10.03 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 74.35 110.98 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' 2075 ' ' GLY . 14.1 t30 -60.83 -32.89 72.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 60.24 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2072 ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' 2069 ' ' SER . 3.1 pt20 -79.93 -39.8 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.497 1.123 . . . . 74.41 110.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2073 ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -50.35 -28.41 7.92 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 1.121 . . . . 72.44 109.316 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.816 ' HD1' HG22 ' A' 2107 ' ' VAL . 52.3 m-85 -116.17 -22.99 8.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 63.35 111.043 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.43 -33.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.593 1.183 . . . . 61.54 111.123 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2076 ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.4 tpt180 -80.12 -51.25 9.23 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.527 0.781 . . . . 71.3 110.363 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.2 m-20 -57.64 -50.99 71.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 44.14 109.341 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.784 HD11 ' HH2' ' A' 2027 ' ' TRP . 36.1 mt -52.6 -33.75 47.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 75.53 109.418 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -48.58 63.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 64.21 111.007 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 10.8 tt0 -60.24 -57.93 10.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 64.34 110.317 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.06 -42.12 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 75.33 109.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -41.01 79.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.414 1.071 . . . . 52.42 110.287 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.535 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -63.13 -38.26 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 72.32 110.394 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.836 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 95.2 m95 -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 75.45 107.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 70.8 m -74.62 -59.54 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 61.31 108.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 7.5 ptt180 -62.83 -33.63 75.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 73.33 110.291 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -66.71 -42.22 86.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 61.11 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.63 ' CZ ' HD12 ' A' 2097 ' ' LEU . 0.8 OUTLIER -71.86 -39.44 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 65.15 111.025 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.656 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.5 mtt -60.52 -41.82 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.12 111.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -48.8 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.2 109.314 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 6.7 t -72.66 -70.8 0.33 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 53.33 109.972 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.78 92.85 2.23 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.574 1.171 . . . . 35.24 110.972 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -163.89 108.14 1.0 Allowed 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.551 0.795 . . . . 75.52 109.271 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.3 t -46.87 -39.38 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 51.2 109.329 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.7 tttp -49.11 -47.01 45.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 71.51 109.302 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.71 -32.1 72.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 70.1 109.357 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.743 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -69.55 -47.62 63.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 71.3 109.337 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.4 m -59.74 -39.23 84.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 73.01 110.39 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.73 -46.7 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 52.24 110.204 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.836 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -64.17 -43.03 96.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 73.41 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2101 ' ' TRP . . . . . 1.127 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -61.05 -34.95 75.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 61.15 108.017 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -47.7 78.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 54.45 109.396 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 3.9 mp -56.45 -53.61 55.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 73.34 109.255 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -57.32 -49.83 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 62.11 111.008 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.53 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -48.24 -48.83 34.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 73.43 110.987 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.41 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.31 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.816 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.8 t -64.26 -57.78 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 74.03 109.266 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.752 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 22.6 m-85 -64.17 -27.76 69.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.362 1.039 . . . . 73.34 111.017 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' 2105 ' ' TYR . 8.7 ttt180 -74.11 -32.04 63.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 70.14 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -51.71 24.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 73.54 110.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.557 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -45.36 -31.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.44 109.328 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 12.7 p -86.41 -52.01 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 75.11 109.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 135.23 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 71.43 109.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 74.24 110.315 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.411 0.148 . . . . 70.52 110.948 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2015 ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' 2016 ' ' LEU . 21.7 mm-40 -114.88 -14.06 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 55.23 110.368 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.566 HD23 HD12 ' A' 2017 ' ' ILE . 0.1 OUTLIER 80.88 121.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 71.55 109.303 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.588 HG22 ' N ' ' A' 2018 ' ' ARG . 1.4 mt 66.39 -77.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 71.32 109.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.588 ' N ' HG22 ' A' 2017 ' ' ILE . 0.8 OUTLIER -43.86 110.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 64.24 110.343 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.64 HG11 HD23 ' A' 2022 ' ' LEU . 53.8 t -40.15 136.94 1.29 Allowed Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.495 1.122 . . . . 63.52 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.2 Cg_endo -75.06 -39.27 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.476 1.777 . . . . 64.43 110.936 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 7.6 mt -97.42 60.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 72.25 109.453 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.64 HD23 HG11 ' A' 2019 ' ' VAL . 0.1 OUTLIER -145.7 150.4 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 75.15 109.311 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.544 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.9 m0 -62.99 -51.82 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.035 -1.098 . . . . 71.32 108.035 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.418 ' ND1' HD12 ' A' 2022 ' ' LEU . 1.6 m80 -46.01 -22.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 72.04 109.489 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -69.81 -40.3 76.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 75.21 110.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.74 -33.55 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 73.41 111.023 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.813 ' HH2' HD11 ' A' 2078 ' ' LEU . 67.0 m95 -67.13 -49.18 65.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.91 -1.144 . . . . 74.25 107.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -64.21 -47.55 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 71.25 109.741 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' 2025 ' ' GLU . 2.0 tt0 -65.91 -38.75 89.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 71.33 110.351 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -56.65 -63.2 5.53 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 75.52 110.994 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2031 ' ' LEU . . . . . 0.988 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.2 mt -59.27 -32.32 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 0.716 . . . . 75.33 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' 2036 ' ' ARG . 2.1 mm-40 -53.5 -52.61 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 75.34 110.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -79.52 -49.7 11.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 51.13 110.284 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.801 ' HB2' HG11 ' A' 2050 ' ' VAL . . . -52.21 -49.96 62.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 64.13 109.208 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.3 p -68.28 -43.98 76.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 70.14 109.9 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' 2032 ' ' GLU . 1.5 mtp85 -53.72 -52.08 61.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 63.23 110.289 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' 2041 ' ' GLU . 4.3 pp -69.29 -40.8 77.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 71.11 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.436 ' N ' HD12 ' A' 2037 ' ' LEU . 61.8 t80 -53.76 -55.28 27.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.113 . . . . 74.33 110.984 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -75.24 -40.61 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 72.41 110.922 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -65.74 -25.15 71.64 Favored Glycine 0 CA--C 1.528 0.855 0 O-C-N 124.578 1.174 . . . . 62.34 111.033 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' 2037 ' ' LEU . 8.9 tp10 -155.55 140.43 17.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.433 0.725 . . . . 74.04 110.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -73.01 57.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 74.34 110.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -125.32 71.7 1.22 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.525 1.141 . . . . 72.34 109.298 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.726 HG12 ' CE2' ' A' 2048 ' ' PHE . 37.5 t -54.29 -24.98 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 73.04 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.46 -43.21 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.44 109.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.43 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -53.44 -54.15 31.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.606 1.191 . . . . 42.34 111.023 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.976 ' O ' HD22 ' A' 2051 ' ' LEU . 8.6 tmm? -54.16 -47.61 71.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 0.719 . . . . 74.25 111.05 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.726 ' CE2' HG12 ' A' 2044 ' ' VAL . 10.1 m-85 -63.46 -34.4 77.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 75.22 111.05 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.3 mm-40 -75.77 -15.98 60.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 64.34 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.847 HG12 HD13 ' A' 2051 ' ' LEU . 0.6 OUTLIER -84.08 -42.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 71.03 109.397 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.976 HD22 ' O ' ' A' 2047 ' ' MET . 0.4 OUTLIER -77.18 -46.87 21.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.43 109.351 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -33.92 -54.43 0.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 71.53 110.336 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.583 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 73.32 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.819 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.52 -55.99 11.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 74.44 109.343 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 2.1 m-70 -57.56 -53.08 62.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 63.33 109.5 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -52.18 -50.47 61.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.423 1.077 . . . . 74.04 109.253 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.99 -36.2 37.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 73.24 111.052 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.544 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -71.1 -33.77 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 70.11 110.984 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' 2055 ' ' HIS . 6.0 mm-40 -72.84 -63.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 73.22 110.221 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -72.66 -24.34 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 75.22 110.297 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.29 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 64.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 62.01 110.963 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.04 -70.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 75.33 110.237 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.2 t -170.51 174.31 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 62.1 110.504 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -28.97 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 73.12 109.311 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -69.69 -34.79 74.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 54.05 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.15 -18.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 1.055 . . . . 63.13 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 30.3 m -54.59 -33.26 60.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 62.34 110.338 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -35.93 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.43 109.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.606 ' HE2' HG22 ' A' 2111 ' ' ILE . 18.1 t80 -63.81 -52.98 57.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.52 111.01 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 7.9 t30 -64.24 -28.79 69.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 63.13 109.402 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -77.41 -54.6 6.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.41 110.312 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.2 -52.81 4.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.24 109.379 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.6 m-85 -90.68 -14.99 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.593 1.183 . . . . 74.15 110.999 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.38 -44.33 2.26 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.526 1.141 . . . . 43.12 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -49.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.62 0.835 . . . . 52.23 110.341 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.54 -55.68 17.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 43.43 109.324 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.813 HD11 ' HH2' ' A' 2027 ' ' TRP . 13.8 mt -52.71 -37.82 59.73 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 75.53 109.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -46.61 89.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.15 110.917 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.505 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 21.5 tt0 -62.28 -54.28 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.42 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.46 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.93 -40.65 66.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 64.1 109.352 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2082 ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.8 OUTLIER -60.55 -39.49 88.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 64.12 110.256 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.504 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 74.53 110.226 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.45 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.4 m95 -75.58 -23.92 56.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 71.22 107.992 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.434 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 42.7 t -66.64 -58.54 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 75.54 108.225 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.504 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.1 OUTLIER -62.52 -28.98 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.01 110.278 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.494 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -60.62 -50.5 73.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 75.34 109.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.486 ' O ' ' N ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -70.91 -46.77 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.3 110.964 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.412 ' N ' ' CD1' ' A' 2088 ' ' TYR . 3.0 mtt -56.9 -32.29 65.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 62.12 111.008 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.9 tptm -92.01 -56.83 2.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 74.31 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' 2087 ' ' LYS . 4.7 t -70.2 -64.42 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 65.2 109.96 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.31 81.4 1.53 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.48 1.113 . . . . 74.21 111.094 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.37 120.35 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 74.01 109.325 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -56.82 -29.78 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 72.24 109.417 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.47 -49.04 78.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 63.4 109.305 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -39.85 80.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 53.23 109.338 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' 2097 ' ' LEU . 0.2 OUTLIER -63.27 -48.39 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 65.44 109.37 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -58.25 -41.73 84.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 73.24 110.327 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' 2103 ' ' LEU . 0.0 OUTLIER -58.51 -50.66 72.95 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 65.4 110.2 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.29 -47.59 78.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 73.44 109.376 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.653 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 64.44 108.057 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -51.11 71.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 73.24 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' 2107 ' ' VAL . 6.5 mp -54.14 -54.21 42.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 65.34 109.357 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.429 ' O ' HG22 ' A' 2107 ' ' VAL . 14.8 m-85 -54.03 -55.68 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 73.12 111.094 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.97 -36.49 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 72.43 111.027 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2106 ' ' HIS . . . . . 0.5 ' O ' ' HG2' ' A' 2109 ' ' ARG . 47.9 t-80 -63.47 -45.59 90.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 71.13 109.635 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -77.21 -35.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 73.33 109.31 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.988 ' CG ' HD11 ' A' 2031 ' ' LEU . 10.1 m-85 -72.1 -31.7 66.29 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.536 1.148 . . . . 73.32 111.001 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' 2106 ' ' HIS . 6.9 ptp180 -79.43 -31.17 42.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.585 1.178 . . . . 64.13 110.273 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2110 ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' 2109 ' ' ARG . 24.7 tpt180 -70.29 -50.41 39.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 71.54 110.246 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.606 HG22 ' HE2' ' A' 2070 ' ' PHE . 11.8 pt -43.24 -30.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 72.11 109.261 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 22.7 t -91.98 -56.81 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 71.23 109.978 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.2 tptp -42.01 138.92 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 60.41 109.279 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 65.14 110.241 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.54 0.209 . . . . 74.25 110.959 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.36 -2.98 15.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 41.23 110.348 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' 2016 ' ' LEU . 0.2 OUTLIER 57.85 -114.4 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 74.42 109.329 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.605 HG23 ' N ' ' A' 2018 ' ' ARG . 0.4 OUTLIER -48.07 174.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 71.21 109.306 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.605 ' N ' HG23 ' A' 2017 ' ' ILE . 2.2 mmt-85 -136.92 98.98 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 75.31 110.234 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.578 HG23 ' HD2' ' A' 2020 ' ' PRO . 2.4 p -43.12 139.73 2.2 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.516 1.135 . . . . 73.04 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.578 ' HD2' HG23 ' A' 2019 ' ' VAL . 18.5 Cg_endo -74.99 -82.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.364 1.718 . . . . 75.12 110.93 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' 2021 ' ' ILE . 1.6 pp -49.14 91.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 70.41 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' 2020 ' ' PRO . 0.2 OUTLIER -162.73 -159.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.5 109.309 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.563 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.6 m0 -70.28 -50.83 35.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.979 -1.119 . . . . 60.01 107.979 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.18 -22.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.25 109.555 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.4 OUTLIER -70.11 -36.37 74.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 74.2 110.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.511 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -75.73 -32.92 60.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 72.34 110.978 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.847 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.8 m95 -68.01 -44.01 77.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 70.32 108.019 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -65.07 -59.3 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 71.4 109.616 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.5 OUTLIER -61.02 -35.95 78.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.22 110.258 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' 2026 ' ' MET . . . -55.44 -62.64 6.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 51.22 110.993 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2031 ' ' LEU . . . . . 0.977 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.9 mt -58.72 -30.95 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 71.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.01 -49.24 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 53.45 110.29 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.716 ' O ' HD12 ' A' 2037 ' ' LEU . 1.1 tt0 -79.1 -45.0 20.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 63.34 110.237 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.741 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -58.14 -47.09 84.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 55.22 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.5 p -65.94 -39.94 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 75.5 109.982 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' 2040 ' ' GLY . 6.7 mtt-85 -56.87 -41.69 78.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 64.5 110.195 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' 2033 ' ' GLU . 1.1 mt -71.73 -35.01 70.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 75.23 109.26 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.89 -56.13 5.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.627 1.204 . . . . 72.23 110.993 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -74.19 -46.27 43.06 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.47 1.106 . . . . 72.51 110.949 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -63.72 -59.64 8.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.146 . . . . 34.21 110.954 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' 2037 ' ' LEU . 5.9 mm-40 -116.71 -170.42 1.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 0.801 . . . . 60.05 110.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.48 22.83 12.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 74.23 110.339 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 8.5 m120 -96.37 79.33 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 64.42 109.36 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.648 HG12 ' CE2' ' A' 2048 ' ' PHE . 38.2 t -57.14 -21.7 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 73.25 109.332 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -40.24 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 72.12 109.343 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.673 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.81 -56.03 22.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.465 1.103 . . . . 53.32 111.048 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.741 ' CG ' ' HB1' ' A' 2034 ' ' ALA . 8.8 tmm? -55.99 -43.16 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 0.803 . . . . 74.51 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.648 ' CE2' HG12 ' A' 2044 ' ' VAL . 7.2 m-85 -62.78 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 73.32 111.072 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.576 ' O ' ' CD ' ' A' 2053 ' ' PRO . 15.8 mt-10 -75.74 -13.43 60.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 65.53 110.291 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' 2046 ' ' GLY . 25.6 t -82.55 -46.85 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 63.04 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.652 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.82 -44.76 31.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 74.33 109.193 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.3 OUTLIER -34.08 -56.15 0.75 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 73.12 110.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.576 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.99 -52.02 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.53 1.805 . . . . 75.11 110.974 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.12 -57.37 6.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.167 . . . . 75.14 109.386 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -60.05 -52.66 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 63.44 109.627 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' 2052 ' ' GLU . . . -49.43 -50.72 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 71.02 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.79 -38.76 56.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 64.42 111.001 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.563 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.0 OUTLIER -66.52 -37.22 84.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 63.25 110.901 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.2 mm-40 -69.85 -64.02 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 64.21 110.244 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.7 OUTLIER -65.49 -35.0 79.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.41 110.334 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' 2057 ' ' MET . . . -124.08 81.1 0.35 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.572 1.17 . . . . 63.12 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.451 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.2 Cg_endo -74.99 -93.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 73.53 110.969 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.443 ' CB ' ' HB2' ' A' 2067 ' ' GLU . 0.2 OUTLIER 176.77 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 71.24 110.412 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.684 HG23 ' H ' ' A' 2066 ' ' LYS . 6.1 t -167.17 -171.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 62.14 110.315 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.465 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.0 OUTLIER -61.1 -26.92 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 64.44 109.298 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2066 ' ' LYS . . . . . 0.684 ' H ' HG23 ' A' 2064 ' ' THR . 13.0 tttt -68.98 -49.61 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 71.55 109.292 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' 2063 ' ' GLN . 2.4 mm-40 -75.43 -20.04 59.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.44 110.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.2 m -53.51 -27.34 25.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.01 110.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -40.58 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 63.42 110.063 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.581 ' HE2' HG22 ' A' 2111 ' ' ILE . 27.6 t80 -63.49 -51.25 66.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 54.13 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 34.8 t30 -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.516 1.135 . . . . 63.44 109.231 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -78.18 -52.89 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 51.41 110.332 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.63 5.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.478 1.111 . . . . 73.24 109.366 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.579 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.1 m-85 -95.09 -15.07 23.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.371 1.044 . . . . 74.12 111.112 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.51 -40.86 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.569 1.168 . . . . 64.34 111.02 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -51.75 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 74.12 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.99 -56.9 10.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 73.2 109.337 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.847 HD11 ' HH2' ' A' 2027 ' ' TRP . 15.1 mt -52.4 -40.19 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.4 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 13.5 ttm -56.22 -46.46 79.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.127 . . . . 63.1 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 12.6 tt0 -62.71 -56.06 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.362 1.039 . . . . 70.52 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.646 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -52.93 -42.37 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 74.34 109.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.51 -42.48 82.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 63.15 110.178 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 62.33 110.208 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.794 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.3 m95 -68.53 -33.52 74.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.991 -1.115 . . . . 74.24 107.991 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 67.6 m -65.08 -55.55 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 74.33 108.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -54.67 -36.88 65.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 72.41 110.359 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.62 99.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 75.12 109.286 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 74.7 t80 -70.51 -48.06 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 61.24 110.966 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.422 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -57.91 -36.4 72.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 54.45 110.917 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -58.81 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 54.42 109.334 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.66 57.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 64.31 109.967 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -97.64 -151.28 27.39 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.557 1.161 . . . . 73.4 111.094 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.02 168.64 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 75.41 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -40.44 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 72.51 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.86 -48.63 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 65.54 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -41.23 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.22 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 8.0 tp -56.83 -42.98 80.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 74.41 109.281 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.3 m -64.79 -45.37 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 62.32 110.472 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.536 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -51.28 -52.75 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 64.25 110.259 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.794 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.7 -48.63 79.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 70.41 109.346 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.602 ' CZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -57.77 -41.68 82.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.34 108.015 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -51.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.075 . . . . 74.25 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.596 ' O ' HG13 ' A' 2107 ' ' VAL . 5.3 mp -56.84 -52.9 63.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.42 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.646 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 3.5 m-30 -54.23 -56.05 22.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 75.14 111.01 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.91 -38.14 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.52 110.974 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2106 ' ' HIS . . . . . 0.465 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.8 m170 -61.66 -45.84 92.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 74.4 109.662 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -75.86 -35.15 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 74.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.977 ' CG ' HD11 ' A' 2031 ' ' LEU . 8.9 m-85 -73.04 -31.88 64.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 74.45 111.012 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -79.78 -25.63 40.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 73.43 110.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2110 ' ' ARG . . . . . 0.496 ' N ' ' HG3' ' A' 2109 ' ' ARG . 2.1 mmm180 -75.44 -50.25 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 72.32 110.306 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.581 HG22 ' HE2' ' A' 2070 ' ' PHE . 7.9 pt -42.09 -37.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 61.55 109.276 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 66.4 p -81.85 -45.86 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 63.03 109.961 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 139.5 41.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 71.54 109.244 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 71.1 110.27 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.557 0.218 . . . . 63.01 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -108.95 -14.2 14.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 72.21 110.264 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 74.04 13.99 3.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 63.4 109.359 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' 2018 ' ' ARG . 15.8 mm -111.1 -81.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.53 1.144 . . . . 71.33 109.358 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.457 ' N ' HG22 ' A' 2017 ' ' ILE . 0.2 OUTLIER -47.52 146.26 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.43 110.289 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.634 HG13 ' HG ' ' A' 2022 ' ' LEU . 0.2 OUTLIER -38.9 137.67 0.87 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 75.43 109.254 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' 2019 ' ' VAL . 18.6 Cg_endo -74.98 -24.87 12.44 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.448 1.762 . . . . 71.14 111.03 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.482 ' C ' HD12 ' A' 2022 ' ' LEU . 22.8 mm -102.95 98.47 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 71.41 109.318 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.764 HD22 ' H ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -175.8 159.09 2.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.163 . . . . 74.32 109.328 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.727 ' HB3' ' HE1' ' A' 2058 ' ' MET . 17.0 m0 -81.15 -39.72 25.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.955 -1.128 . . . . 62.3 107.955 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.594 ' HB2' HD23 ' A' 2022 ' ' LEU . 3.3 m80 -44.57 -23.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 75.11 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.764 ' H ' HD22 ' A' 2022 ' ' LEU . 0.9 OUTLIER -68.07 -40.93 82.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 70.55 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.927 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -71.64 -31.28 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 71.42 110.998 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.758 ' HH2' HD11 ' A' 2078 ' ' LEU . 78.2 m95 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 74.11 107.998 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -59.06 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 72.44 109.625 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' 2030 ' ' GLY . 4.8 pt-20 -63.64 -40.43 96.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 74.3 110.303 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.5 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -56.12 -63.61 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 72.23 110.956 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.122 HD22 ' CG ' ' A' 2108 ' ' PHE . 5.1 tp -57.7 -32.16 67.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.545 0.791 . . . . 72.55 109.243 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.72 -53.26 57.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 71.03 110.279 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.73 48.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 64.03 110.343 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.81 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.06 -49.27 69.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.143 . . . . 42.02 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.446 ' HG ' ' HH2' ' A' 2101 ' ' TRP . 7.6 m -56.56 -45.97 80.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 64.45 109.864 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -59.44 -34.29 72.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 60.22 110.317 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' 2034 ' ' ALA . 3.0 mt -70.33 -34.04 72.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.591 1.182 . . . . 71.41 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 81.5 t80 -82.98 -54.49 5.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 65.13 110.978 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -73.39 -46.89 46.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 73.03 111.041 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -66.91 -58.4 8.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.539 1.149 . . . . 71.22 111.032 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -114.35 -173.35 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 71.34 110.289 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -116.23 28.44 8.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 75.22 110.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -96.24 90.25 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.43 109.328 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.724 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 4.3 t -65.71 -10.55 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 64.32 109.402 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.47 -40.24 67.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 61.25 109.277 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.833 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.55 -56.56 24.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.445 1.091 . . . . 65.41 110.977 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.85 -46.93 81.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 72.04 110.948 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.724 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.7 m-85 -68.19 -37.1 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 71.41 110.997 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 5.5 mm-40 -75.45 -13.68 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 75.12 110.285 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' 2046 ' ' GLY . 21.6 t -84.56 -44.06 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 74.32 109.244 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -46.38 26.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 73.1 109.332 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.2 mt-10 -34.93 -55.45 0.95 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.4 110.32 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.569 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.98 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.481 1.779 . . . . 74.21 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.927 HD22 ' SD ' ' A' 2026 ' ' MET . 16.8 mt -48.39 -56.7 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 61.43 109.247 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.464 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 1.9 m-70 -59.18 -52.31 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.21 109.565 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.27 -47.21 62.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 62.51 109.27 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.517 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.7 -38.72 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 65.43 111.057 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.768 ' HE3' ' HG2' ' A' 2026 ' ' MET . 0.4 OUTLIER -70.41 -33.08 70.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.19 . . . . 64.22 110.996 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.1 mm-40 -71.67 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 75.42 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -22.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 72.13 110.349 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.33 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 73.44 111.039 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 62.43 111.133 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' 2064 ' ' THR . 1.3 tp60 -145.71 -72.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 74.2 110.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.49 HG23 ' O ' ' A' 2063 ' ' GLN . 21.0 p -156.08 161.06 40.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 63.2 110.384 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -27.32 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.626 1.204 . . . . 61.11 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -50.95 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.156 . . . . 70.32 109.265 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.53 -23.53 63.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 64.14 110.239 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.7 m -55.35 -41.58 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 1.208 . . . . 73.1 110.351 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.4 m -64.74 -50.59 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 72.21 110.063 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' 2070 ' ' PHE . 0.5 OUTLIER -58.8 -43.32 90.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 71.15 110.975 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2075 ' ' GLY . 41.7 t30 -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.11 109.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -78.1 -54.94 5.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 74.41 110.291 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.36 -33.17 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 73.43 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.823 ' CD2' HG13 ' A' 2107 ' ' VAL . 2.5 m-30 -96.48 -24.22 16.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 70.44 110.979 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.34 -42.99 5.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 51.24 110.925 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -45.92 59.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 0.766 . . . . 73.11 110.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.54 -51.1 68.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 74.31 109.363 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.758 HD11 ' HH2' ' A' 2027 ' ' TRP . 24.5 mt -57.54 -33.45 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 61.35 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 mtp -67.48 -44.73 77.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.545 1.153 . . . . 73.41 111.0 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.499 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 17.9 tt0 -60.16 -58.55 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 72.13 110.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.579 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -53.59 -41.1 66.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 61.11 109.313 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -57.8 -39.65 78.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 73.23 110.331 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.535 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -66.13 -36.57 83.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 55.5 110.331 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.735 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.8 m95 -73.09 -23.76 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 71.41 107.944 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.8 t -72.03 -58.56 3.34 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.57 1.169 . . . . 74.34 108.209 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 2.2 ptm180 -67.08 -27.83 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 72.51 110.275 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -71.81 -37.17 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 73.21 109.239 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.516 ' CE2' HD22 ' A' 2097 ' ' LEU . 10.1 t80 -79.41 -45.0 20.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 74.14 110.98 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.0 mtt -61.59 -38.2 86.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 74.11 111.034 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.466 ' HD2' ' O ' ' A' 2090 ' ' LYS . 11.5 tptm -64.92 -58.99 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 71.23 109.235 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.22 78.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.138 . . . . 71.03 109.965 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -133.06 -141.8 4.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 62.11 110.999 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -149.23 157.95 43.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 45.01 109.307 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -35.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 62.4 109.204 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -49.01 -48.1 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 62.54 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -67.02 -39.01 86.96 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.435 1.084 . . . . 65.21 109.343 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' 2097 ' ' LEU . 4.2 tp -62.73 -46.66 87.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 72.34 109.226 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.4 m -59.32 -42.66 91.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 61.1 110.424 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.404 ' O ' HD12 ' A' 2103 ' ' LEU . 1.5 tt0 -57.1 -49.91 74.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 74.4 110.272 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.735 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.26 -43.52 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 72.21 109.37 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.57 ' CH2' HD11 ' A' 2031 ' ' LEU . 1.0 OUTLIER -62.77 -33.06 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.23 107.998 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -50.61 70.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.603 1.189 . . . . 43.44 109.26 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.4 mp -54.87 -53.11 59.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 73.43 109.369 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 18.1 m-85 -57.15 -46.77 82.45 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.433 1.083 . . . . 73.03 110.936 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.43 -48.37 47.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 75.33 111.04 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2106 ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' 2110 ' ' ARG . 37.3 m170 -62.64 -37.88 88.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 72.45 109.595 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' 2074 ' ' TYR . 2.1 t -69.59 -56.65 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 35.45 109.211 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.122 ' CG ' HD22 ' A' 2031 ' ' LEU . 30.9 m-85 -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.42 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' 2105 ' ' TYR . 7.6 ttt180 -76.49 -30.62 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 74.42 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2110 ' ' ARG . . . . . 0.428 ' CB ' ' OH ' ' A' 2074 ' ' TYR . 10.2 mmt-85 -72.59 -51.43 19.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 72.24 110.341 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.512 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 15.5 pt -42.92 -31.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 75.21 109.277 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.1 m -85.3 -53.96 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 53.22 109.998 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.97 127.21 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 61.51 109.358 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 9.5 tp60 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.375 1.047 . . . . 62.31 110.382 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 19.0 ptt? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.495 0.188 . . . . 73.52 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -12.55 36.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.41 110.251 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' 2017 ' ' ILE . 0.1 OUTLIER 80.03 -153.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 71.54 109.161 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.478 ' H ' HD23 ' A' 2016 ' ' LEU . 0.0 OUTLIER -38.65 153.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 73.24 109.325 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' 2018 ' ' ARG . 0.8 OUTLIER -110.08 -162.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 71.41 110.293 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.73 ' HB ' HD13 ' A' 2022 ' ' LEU . 2.3 t -138.67 127.89 14.39 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.436 1.085 . . . . 72.41 109.423 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -26.83 10.44 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.442 1.759 . . . . 64.13 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.459 ' O ' ' CG1' ' A' 2019 ' ' VAL . 1.7 pp -110.87 102.2 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 75.22 109.365 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.73 HD13 ' HB ' ' A' 2019 ' ' VAL . 0.2 OUTLIER -171.01 -160.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.447 1.092 . . . . 62.31 109.299 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.511 ' O ' ' N ' ' A' 2026 ' ' MET . 8.7 m0 -66.53 -51.44 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 73.3 107.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.7 m170 -46.45 -25.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 63.34 109.551 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.3 tm-20 -69.42 -32.53 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 63.51 110.378 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.862 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -76.02 -31.51 58.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 73.53 111.028 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.683 ' CH2' HD21 ' A' 2078 ' ' LEU . 61.6 m95 -69.98 -50.52 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 72.3 108.028 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -59.17 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 65.24 109.615 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -33.79 76.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 71.33 110.257 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.47 -64.18 4.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.133 . . . . 70.31 111.01 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.122 HD22 ' CG ' ' A' 2108 ' ' PHE . 1.8 tp -61.55 -32.4 72.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 62.44 109.343 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.12 -48.35 73.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 62.04 110.258 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.11 -49.15 25.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.401 1.063 . . . . 71.12 110.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -56.64 -37.24 70.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 62.44 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' 2031 ' ' LEU . 17.6 t -75.91 -52.94 9.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.168 . . . . 71.54 110.01 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.2 -44.3 53.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 74.45 110.216 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.995 HD12 ' N ' ' A' 2038 ' ' TYR . 3.3 pp -70.43 -48.08 57.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 71.24 109.317 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.995 ' N ' HD12 ' A' 2037 ' ' LEU . 42.9 t80 -53.93 -46.25 71.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 71.14 110.999 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -77.03 -47.3 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 75.33 110.926 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -84.05 -73.13 1.27 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.467 1.105 . . . . 73.24 110.964 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' 2037 ' ' LEU . 29.7 tp10 -47.44 -25.62 1.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.569 0.805 . . . . 74.44 110.21 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' 2037 ' ' LEU . 0.0 OUTLIER 60.71 18.58 8.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 74.25 110.351 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.491 ' O ' HD13 ' A' 2037 ' ' LEU . 1.9 m-20 -116.2 118.28 32.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 71.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.755 HG12 ' CE2' ' A' 2048 ' ' PHE . 48.7 t -73.88 -26.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 62.33 109.407 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.422 ' HE2' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.87 -36.26 37.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.091 . . . . 54.12 109.385 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.601 ' O ' HG23 ' A' 2050 ' ' VAL . . . -62.11 -53.24 44.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.54 1.15 . . . . 75.3 110.963 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.653 ' CE ' HG13 ' A' 2044 ' ' VAL . 8.4 tmm? -52.58 -43.32 65.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 0.814 . . . . 44.05 110.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.755 ' CE2' HG12 ' A' 2044 ' ' VAL . 14.2 m-85 -68.03 -37.66 81.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 62.31 110.989 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 28.2 mt-10 -75.89 -13.73 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 71.01 110.203 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' 2046 ' ' GLY . 24.4 t -84.82 -44.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.107 . . . . 71.32 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.2 -45.43 33.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 75.12 109.363 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.8 -55.99 1.16 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 73.24 110.31 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.557 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -74.96 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 61.22 111.041 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.862 HD22 ' SD ' ' A' 2026 ' ' MET . 20.9 mt -49.41 -55.31 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 71.44 109.254 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.846 ' CE1' HD23 ' A' 2078 ' ' LEU . 3.3 m170 -58.43 -53.37 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 71.21 109.661 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.29 -50.19 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 53.53 109.232 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.11 -39.52 43.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 74.33 110.971 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.761 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.0 OUTLIER -69.14 -31.7 70.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.502 1.126 . . . . 74.45 110.85 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.1 mm-40 -76.43 -63.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 62.54 110.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' 2056 ' ' ALA . 30.8 ptt180 -71.52 -18.19 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.12 110.359 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.38 77.25 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.558 1.161 . . . . 53.13 110.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.6 1.842 . . . . 63.42 110.94 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' 2064 ' ' THR . 4.7 tp60 -148.94 -76.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 72.35 110.363 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.554 HG23 ' O ' ' A' 2063 ' ' GLN . 23.8 p -158.61 177.43 11.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.157 . . . . 55.32 110.362 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -64.35 -27.23 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 53.14 109.412 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 18.0 mttt -67.33 -39.71 85.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 60.54 109.266 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -77.24 -26.04 52.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.22 110.248 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.9 m -54.79 -28.51 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 54.35 110.453 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -37.56 63.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 71.34 110.037 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.51 ' HE1' HG22 ' A' 2111 ' ' ILE . 62.6 t80 -63.42 -51.63 64.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 70.54 110.985 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' 2075 ' ' GLY . 22.5 t-20 -63.74 -29.92 71.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 74.11 109.377 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.27 -45.93 21.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 72.34 110.34 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.98 -46.22 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 35.15 109.323 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.71 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 39.1 m-85 -99.49 -17.75 17.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 74.33 110.956 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -39.13 -28.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 71.51 110.995 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2076 ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' 2074 ' ' TYR . 19.0 tpt180 -79.02 -46.79 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 65.22 110.345 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.555 ' HB2' HG11 ' A' 2107 ' ' VAL . 6.7 m-20 -61.37 -57.05 13.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 64.15 109.364 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.846 HD23 ' CE1' ' A' 2055 ' ' HIS . 8.0 mp -51.37 -46.0 62.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 62.32 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.1 ttm -50.49 -49.38 55.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 74.13 110.971 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.487 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.4 tt0 -71.1 -48.3 53.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 73.12 110.26 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.47 -44.36 68.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 72.24 109.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.63 -38.49 90.46 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.482 1.114 . . . . 71.12 110.312 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.524 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -60.69 -37.29 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 63.13 110.271 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.731 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.7 m95 -75.84 -25.78 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.933 -1.136 . . . . 74.13 107.933 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 71.6 m -69.48 -59.0 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 60.31 108.25 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.524 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 1.1 ptm180 -65.05 -28.63 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 73.11 110.234 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.468 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.66 -33.6 71.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.599 1.187 . . . . 64.41 109.332 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.424 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 9.9 t80 -77.16 -45.2 27.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 73.23 111.026 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.586 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -60.31 -40.44 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 53.53 111.055 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -57.53 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 73.35 109.265 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.16 77.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 52.02 109.995 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -124.64 -148.86 7.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.383 1.052 . . . . 64.3 110.939 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -141.96 -178.06 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 72.35 109.326 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -40.81 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 53.02 109.322 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 -48.42 49.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 75.44 109.329 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -42.8 88.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 72.31 109.319 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' 2097 ' ' LEU . 1.6 tp -59.07 -46.9 87.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 41.22 109.287 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -58.75 -42.16 88.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 74.54 110.471 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.452 ' O ' HD12 ' A' 2103 ' ' LEU . 0.8 OUTLIER -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 54.34 110.366 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.731 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.74 -49.4 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 71.14 109.246 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.503 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 0.2 OUTLIER -56.67 -31.2 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 74.12 107.935 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -48.99 68.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.627 1.205 . . . . 62.43 109.38 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.5 mp -53.45 -52.75 58.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 74.31 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.522 ' O ' HG22 ' A' 2107 ' ' VAL . 11.0 m-85 -56.84 -57.35 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.11 111.005 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.3 t80 -49.67 -27.94 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 73.25 111.053 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -70.71 -55.67 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 72.23 109.559 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.71 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.5 m -64.13 -43.79 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 72.41 109.261 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.122 ' CG ' HD22 ' A' 2031 ' ' LEU . 17.8 m-85 -66.63 -29.61 69.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 74.32 110.947 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' 2105 ' ' TYR . 22.3 ttt85 -77.84 -28.16 50.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 73.11 110.287 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -75.15 -51.52 13.21 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.422 1.077 . . . . 51.34 110.337 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.572 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.0 pt -45.24 -35.08 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.552 1.157 . . . . 75.33 109.352 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.38 -47.09 20.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 74.01 110.02 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2113 ' ' LYS . . . . . 0.487 ' NZ ' ' NH1' ' A' 2109 ' ' ARG . 0.0 OUTLIER -41.45 124.29 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.33 109.245 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 73.02 110.291 -179.988 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 2.5 mtm . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.552 0.215 . . . . 63.13 111.021 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -13.64 15.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 74.43 110.303 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 45.04 -167.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 73.11 109.293 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 11.0 tt -54.18 -31.27 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 54.41 109.255 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.75 126.03 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 75.13 110.331 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.407 ' O ' ' OE1' ' A' 2025 ' ' GLU . 47.3 t -40.57 129.81 1.8 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 53.31 109.333 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.578 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.4 Cg_endo -74.96 -31.2 6.47 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 75.31 111.069 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.578 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -108.87 88.63 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 44.21 109.317 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.587 HD12 ' ND1' ' A' 2024 ' ' HIS . 0.2 OUTLIER -175.59 162.97 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 75.41 109.18 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.614 ' CZ2' ' NE2' ' A' 2063 ' ' GLN . 10.2 m0 -69.36 -52.49 26.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 71.2 108.067 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.587 ' ND1' HD12 ' A' 2022 ' ' LEU . 4.3 m80 -46.75 -24.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 71.32 109.635 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' 2023 ' ' TRP . 8.0 tp10 -69.03 -36.34 77.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 73.45 110.331 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.987 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.96 -31.1 62.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 74.13 110.948 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.869 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.0 m95 -68.67 -51.47 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 53.34 108.051 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -58.02 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 70.11 109.691 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.6 OUTLIER -63.04 -37.38 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 73.44 110.209 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -57.8 -64.96 3.89 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.634 1.209 . . . . 35.24 110.996 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2031 ' ' LEU . . . . . 0.999 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.0 mt -58.87 -30.44 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 0.814 . . . . 74.12 109.316 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.95 -53.74 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 74.22 110.293 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.388 1.055 . . . . 53.31 110.305 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 54.42 109.302 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.43 ' HB2' ' CE2' ' A' 2039 ' ' PHE . 51.9 p -60.62 -42.87 97.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.17 . . . . 73.03 109.912 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -59.88 -32.87 71.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.12 110.254 -179.934 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' 2034 ' ' ALA . 2.7 mt -70.53 -42.38 71.28 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.512 1.132 . . . . 65.34 109.291 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' 2041 ' ' GLU . 75.3 t80 -75.56 -55.07 6.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 75.11 110.934 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2039 ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' 2035 ' ' SER . 26.3 m-85 -69.75 -48.49 59.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 70.43 110.926 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -70.65 -59.85 4.98 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.413 1.07 . . . . 11.43 111.001 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' 2038 ' ' TYR . 3.7 tt0 -102.92 -166.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.6 0.824 . . . . 71.52 110.303 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.62 20.97 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 74.15 110.337 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -95.5 94.84 8.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.569 1.168 . . . . 71.14 109.239 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.759 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 3.5 t -65.62 -11.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 45.54 109.217 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.29 -38.85 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 71.11 109.287 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.823 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.17 -56.13 22.87 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.373 1.046 . . . . 74.21 111.032 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.525 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 0.2 OUTLIER -60.62 -48.87 79.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 74.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.759 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.8 m-30 -60.59 -43.66 97.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 61.15 111.017 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.555 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.3 pt-20 -72.32 -13.4 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 73.34 110.36 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' 2046 ' ' GLY . 6.8 t -84.9 -45.19 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.371 1.045 . . . . 70.04 109.313 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.84 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.64 -43.15 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.43 109.357 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.3 OUTLIER -37.27 -54.34 2.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 52.24 110.339 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.96 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 70.14 110.909 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.987 HD22 ' SD ' ' A' 2026 ' ' MET . 34.9 mt -48.2 -55.42 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 75.12 109.262 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' 2059 ' ' GLU . 13.5 m-70 -60.9 -51.81 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 73.12 109.514 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.68 -49.02 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 44.2 109.266 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.22 -41.55 50.04 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 72.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.634 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.0 OUTLIER -65.26 -34.57 78.67 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.065 . . . . 72.24 111.016 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.2 mm-40 -74.81 -62.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 1.179 . . . . 75.22 110.371 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.455 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.0 ptm180 -72.52 -7.92 52.47 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.549 1.156 . . . . 71.31 110.323 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' 2057 ' ' MET . . . -125.36 67.51 0.52 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 52.4 110.949 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.3 Cg_endo -75.08 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 74.1 111.076 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -153.32 -73.93 0.13 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.63 1.206 . . . . 73.23 110.244 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2064 ' ' THR . . . . . 1.036 ' O ' HG23 ' A' 2068 ' ' THR . 4.8 p -159.68 175.62 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.41 110.368 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.519 ' HA ' HD22 ' A' 2065 ' ' LEU . 0.2 OUTLIER -53.78 -26.88 25.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 64.21 109.365 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.49 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.439 1.087 . . . . 41.51 109.356 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.518 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -68.33 -37.24 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 74.21 110.183 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2068 ' ' THR . . . . . 1.036 HG23 ' O ' ' A' 2064 ' ' THR . 71.7 p -54.08 -36.36 63.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 64.12 110.377 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -37.15 64.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.368 1.042 . . . . 64.1 110.022 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.62 ' HE2' HG22 ' A' 2111 ' ' ILE . 43.9 t80 -72.82 -53.29 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.33 110.971 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' CA ' ' A' 2075 ' ' GLY . 23.9 t30 -64.85 -29.3 70.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 71.53 109.322 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2072 ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' 2068 ' ' THR . 7.3 mt-30 -78.13 -51.45 10.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.381 1.051 . . . . 74.15 110.293 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.9 -50.68 5.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 74.31 109.265 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.558 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.1 m-85 -94.78 -14.83 24.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 71.21 111.017 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.73 -48.86 1.87 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 63.44 111.051 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -45.82 58.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 0.793 . . . . 73.25 110.294 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -55.17 -54.67 40.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.03 109.203 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.869 HD11 ' HH2' ' A' 2027 ' ' TRP . 37.5 mt -54.94 -34.38 63.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 50.52 109.33 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 26.4 tpp -64.43 -46.84 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.24 111.052 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 5.4 tt0 -60.29 -54.96 39.52 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.438 1.086 . . . . 74.34 110.41 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -52.61 -40.61 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 63.3 109.269 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.44 -42.89 92.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.52 110.271 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.6 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 74.43 110.25 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.735 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.3 m95 -72.08 -30.75 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.988 -1.116 . . . . 73.21 107.988 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 98.2 m -66.53 -58.79 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 75.44 108.258 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.25 73.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 74.3 110.311 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -59.54 -37.54 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 35.42 109.27 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.729 ' CE2' HD12 ' A' 2097 ' ' LEU . 1.2 t80 -75.79 -46.13 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 45.44 111.004 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.532 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 4.1 mtt -56.5 -31.93 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 75.05 110.977 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -55.79 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 72.03 109.315 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.2 t -68.39 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.22 110.05 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.29 94.83 1.81 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.564 1.165 . . . . 53.34 110.995 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.63 113.72 1.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 0.785 . . . . 74.01 109.363 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.9 p -50.01 -37.16 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 72.54 109.351 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.8 tttt -49.4 -49.67 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 63.34 109.336 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.63 -32.2 69.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 74.43 109.379 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.729 HD12 ' CE2' ' A' 2088 ' ' TYR . 1.6 tt -64.97 -49.45 70.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.34 109.304 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.8 m -60.38 -50.31 74.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 62.54 110.334 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.422 ' O ' HD12 ' A' 2103 ' ' LEU . 0.4 OUTLIER -50.84 -51.48 50.77 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.584 1.177 . . . . 75.2 110.245 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.735 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -58.15 -43.21 87.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 74.22 109.312 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.999 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -62.79 -41.18 99.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 72.2 108.057 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 -47.36 71.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 75.21 109.252 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' 2107 ' ' VAL . 6.4 mp -59.44 -55.06 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 73.13 109.27 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.44 ' O ' HG22 ' A' 2107 ' ' VAL . 10.1 m-85 -55.39 -57.4 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 63.34 110.954 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.48 -41.61 30.25 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 73.22 110.942 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -57.08 -45.92 82.92 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.569 1.168 . . . . 71.32 109.548 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -72.74 -39.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 64.5 109.355 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.759 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 7.6 m-85 -67.88 -30.51 69.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 64.22 111.052 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -78.17 -36.83 47.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 72.34 110.301 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -64.35 -51.48 63.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 72.03 110.246 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.62 HG22 ' HE2' ' A' 2070 ' ' PHE . 18.4 pt -45.0 -40.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 73.24 109.355 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 7.7 t -79.63 -50.78 10.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 62.31 110.051 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 115.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 70.13 109.392 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 64.14 110.373 179.993 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.443 0.163 . . . . 72.11 110.987 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2015 ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' 2016 ' ' LEU . 1.6 pt-20 -66.58 -38.57 87.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 64.33 110.263 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' 2017 ' ' ILE . 0.1 OUTLIER 81.69 116.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 71.44 109.304 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.513 HD13 ' N ' ' A' 2017 ' ' ILE . 4.5 mm -37.81 116.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.371 1.045 . . . . 71.43 109.245 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.588 ' NH1' ' CE1' ' A' 2028 ' ' HIS . 0.5 OUTLIER -179.13 154.16 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 73.21 110.28 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.88 HG11 HD22 ' A' 2022 ' ' LEU . 2.1 p -38.39 136.9 0.84 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 62.25 109.274 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.58 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.1 Cg_endo -75.04 -61.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.433 1.754 . . . . 65.24 110.861 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.58 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -86.07 90.92 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 73.11 109.306 -179.873 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.88 HD22 HG11 ' A' 2019 ' ' VAL . 1.3 tp -174.96 154.86 1.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 73.2 109.317 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.462 ' CD2' ' CE ' ' A' 2058 ' ' MET . 3.5 m0 -76.51 -47.2 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.31 108.026 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.7 m80 -48.06 -22.67 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 72.32 109.559 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.1 OUTLIER -69.37 -35.03 75.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 72.13 110.249 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.974 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -78.69 -30.68 46.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 54.32 111.061 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.668 ' CH2' HD21 ' A' 2078 ' ' LEU . 64.8 m95 -71.9 -46.53 57.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.537 1.148 . . . . 74.4 108.022 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2028 ' ' HIS . . . . . 0.588 ' CE1' ' NH1' ' A' 2018 ' ' ARG . 0.0 OUTLIER -64.83 -59.8 3.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 71.33 109.606 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.3 110.283 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.466 ' CA ' HD11 ' A' 2054 ' ' LEU . . . -60.27 -65.28 3.47 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 52.51 110.944 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.108 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.0 tp -59.95 -29.88 68.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 73.31 109.275 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.47 -53.92 47.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 73.42 110.326 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.95 -50.91 53.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 75.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.754 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -55.31 -47.66 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 74.24 109.35 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 30.7 t -57.71 -40.55 79.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 65.3 109.955 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.483 ' O ' ' CA ' ' A' 2040 ' ' GLY . 2.6 ttt85 -63.1 -34.7 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 63.04 110.349 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.76 HD13 ' HA3' ' A' 2046 ' ' GLY . 2.0 mt -69.86 -36.1 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 72.54 109.373 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 77.1 t80 -82.92 -56.19 3.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 72.41 110.992 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -73.9 -47.04 40.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 75.24 110.957 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -72.6 -67.36 1.84 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 43.1 111.014 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' 2037 ' ' LEU . 2.2 mt-10 -94.48 -168.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 0.729 . . . . 73.22 110.26 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.23 23.37 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.42 110.361 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -103.44 94.33 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 73.03 109.287 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.705 HG21 ' CD2' ' A' 2097 ' ' LEU . 2.3 t -62.36 -23.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 75.44 109.316 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -56.82 -36.47 69.99 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.487 1.117 . . . . 64.45 109.358 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' 2050 ' ' VAL . . . -51.59 -50.85 40.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.606 1.191 . . . . 35.34 111.036 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.546 ' HE3' ' CD1' ' A' 2048 ' ' PHE . 10.7 tmm? -64.6 -53.9 40.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 75.3 111.015 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' 2089 ' ' MET . 11.3 m-85 -51.56 -47.06 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.663 1.227 . . . . 71.43 110.949 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.7 pp20? -73.68 -14.75 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 74.12 110.278 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' 2046 ' ' GLY . 3.7 t -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.621 1.2 . . . . 71.4 109.336 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.829 HD23 ' N ' ' A' 2051 ' ' LEU . 0.4 OUTLIER -78.21 -40.09 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 62.24 109.399 179.878 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' 2053 ' ' PRO . 5.9 mt-10 -41.49 -53.7 7.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 73.4 110.35 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.606 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.99 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 75.14 111.043 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.974 HD22 ' SD ' ' A' 2026 ' ' MET . 56.9 mt -49.96 -55.12 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 73.24 109.259 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2055 ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -60.0 -51.27 70.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 74.32 109.536 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.6 -49.74 67.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 55.44 109.181 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.31 -37.66 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 53.05 111.025 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.57 ' HE3' ' HG2' ' A' 2026 ' ' MET . 2.1 mmt -70.13 -33.26 71.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 62.13 110.991 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.4 -63.34 1.21 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.632 1.208 . . . . 63.24 110.239 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' 2056 ' ' ALA . 7.6 ptm180 -73.38 -19.73 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 73.34 110.203 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -121.53 74.84 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.436 1.085 . . . . 53.41 111.043 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.84 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.667 1.878 . . . . 60.52 111.049 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -133.06 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 72.11 110.284 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -179.27 163.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 71.13 110.388 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' 2068 ' ' THR . 0.2 OUTLIER -49.33 -26.11 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 71.4 109.317 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -73.22 -36.26 66.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 64.31 109.273 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' 2064 ' ' THR . 1.2 pp20? -47.3 -22.34 0.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.109 . . . . 73.54 110.255 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.563 HG23 ' O ' ' A' 2065 ' ' LEU . 46.7 p -53.85 -42.76 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 63.31 110.398 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2069 ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' 2073 ' ' ALA . 0.2 OUTLIER -53.4 -44.92 69.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 74.4 110.012 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.85 ' CZ ' HG22 ' A' 2111 ' ' ILE . 0.8 OUTLIER -72.37 -54.51 9.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 75.44 111.078 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.584 ' O ' ' CA ' ' A' 2075 ' ' GLY . 60.0 t-20 -56.16 -35.08 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.5 109.315 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2072 ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' 2068 ' ' THR . 6.8 mt-30 -81.04 -46.26 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 75.33 110.301 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2073 ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -41.95 -51.93 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 52.2 109.268 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.634 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.5 m-85 -101.75 -12.09 18.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 71.23 111.011 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.584 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.72 -34.41 1.23 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.504 1.128 . . . . 74.53 110.929 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -40.89 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 72.33 110.31 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.0 OUTLIER -61.66 -58.94 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 72.44 109.306 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.668 HD21 ' CH2' ' A' 2027 ' ' TRP . 9.5 mp -52.39 -43.55 64.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 62.34 109.296 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2079 ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -50.69 -49.75 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 72.24 111.074 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 20.7 tt0 -71.74 -47.62 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 74.21 110.296 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' 2103 ' ' LEU . . . -53.72 -44.26 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 72.42 109.312 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -38.76 92.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 71.41 110.316 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -37.62 76.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 70.31 110.249 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.826 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.0 m95 -73.72 -32.26 63.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.973 -1.121 . . . . 75.01 107.973 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.405 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 1.1 m -64.93 -48.79 72.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 60.22 108.28 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -41.14 97.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 71.22 110.305 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -33.96 75.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 72.04 109.242 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.584 ' CE2' HG11 ' A' 2044 ' ' VAL . 6.2 t80 -71.88 -47.32 53.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 63.51 110.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' 2048 ' ' PHE . 0.6 OUTLIER -62.11 -29.21 70.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.23 110.992 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.6 -52.17 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 75.04 109.233 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 49.1 m -83.18 -66.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 73.23 110.028 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.06 89.16 2.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 55.22 111.033 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2093 ' ' ASN . . . . . 0.406 ' O ' ' OD2' ' A' 2096 ' ' ASP . 0.7 OUTLIER -149.09 133.6 17.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 0.785 . . . . 64.5 109.27 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.8 p -72.67 -40.83 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 75.32 109.25 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -49.93 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 74.54 109.315 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2096 ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' 2097 ' ' LEU . 0.0 OUTLIER -65.48 -45.49 83.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.34 109.398 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.705 ' CD2' HG21 ' A' 2044 ' ' VAL . 14.5 tp -58.65 -38.08 77.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 73.25 109.3 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.1 m -61.79 -50.5 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 73.43 110.439 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -47.87 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 73.44 110.312 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.26 -48.17 77.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 70.22 109.366 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.435 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 1.4 m95 -55.52 -37.35 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 74.24 107.954 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.3 -48.06 83.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.35 109.298 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' A' 2081 ' ' ALA . 4.4 mp -54.65 -54.07 46.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 64.23 109.255 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.54 ' O ' HG22 ' A' 2107 ' ' VAL . 18.9 m-85 -56.38 -56.87 15.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 75.43 110.93 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.547 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.78 -33.47 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 64.12 110.881 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.44 -55.12 26.8 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 74.23 109.578 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.634 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.5 m -66.44 -44.26 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 64.44 109.263 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.108 ' CG ' HD22 ' A' 2031 ' ' LEU . 15.0 m-85 -66.22 -29.24 69.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 71.22 110.879 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.547 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.1 ttm180 -76.35 -32.86 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.31 110.309 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -51.63 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.43 110.247 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.85 HG22 ' CZ ' ' A' 2070 ' ' PHE . 12.6 pt -43.53 -38.98 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 64.33 109.262 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 41.8 t -80.54 -54.38 5.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 70.31 110.087 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 148.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 75.13 109.312 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 74.04 110.298 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.4 tpp . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.389 0.138 . . . . 72.11 111.064 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.54 -10.89 60.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 74.32 110.245 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.598 ' C ' HD12 ' A' 2017 ' ' ILE . 0.6 OUTLIER 68.06 52.05 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 75.32 109.336 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.648 HG22 ' H ' ' A' 2018 ' ' ARG . 1.8 mp 52.16 175.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 64.54 109.373 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.648 ' H ' HG22 ' A' 2017 ' ' ILE . 0.0 OUTLIER -158.86 47.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 74.2 110.355 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.602 HG21 ' HB2' ' A' 2022 ' ' LEU . 0.4 OUTLIER -150.37 137.42 11.45 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 71.31 109.339 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.467 ' HD2' HG23 ' A' 2019 ' ' VAL . 18.2 Cg_endo -74.99 -71.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 74.02 111.039 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.565 ' O ' HD23 ' A' 2022 ' ' LEU . 1.3 pp -119.47 118.31 56.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.497 1.123 . . . . 74.51 109.365 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.602 ' HB2' HG21 ' A' 2019 ' ' VAL . 0.2 OUTLIER 178.32 170.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.23 109.343 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.617 ' CG ' ' CE ' ' A' 2058 ' ' MET . 9.6 m0 -48.44 -51.79 25.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 75.54 107.963 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.476 ' HB2' HG11 ' A' 2019 ' ' VAL . 5.9 m80 -46.97 -23.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.324 1.015 . . . . 75.14 109.585 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' 2022 ' ' LEU . 2.0 tm-20 -70.67 -35.3 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 71.41 110.186 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.518 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -77.94 -29.73 50.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 75.45 111.046 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.801 ' HH2' HD11 ' A' 2078 ' ' LEU . 55.1 m95 -69.4 -49.6 53.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.918 -1.141 . . . . 71.32 107.918 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2028 ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' 2029 ' ' GLU . 0.0 OUTLIER -61.42 -56.07 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 73.33 109.58 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' 2028 ' ' HIS . 1.5 mm-40 -57.93 -43.39 86.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 72.45 110.306 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.2 -63.43 4.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.583 1.177 . . . . 74.23 110.92 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.071 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.4 mt -56.32 -30.59 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 64.24 109.229 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -55.84 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 71.43 110.309 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.62 -46.54 63.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 73.33 110.322 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -56.49 -47.63 78.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 61.44 109.305 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.7 m -56.74 -45.46 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 62.33 110.043 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.403 ' O ' ' HA3' ' A' 2040 ' ' GLY . 0.0 OUTLIER -60.03 -32.5 70.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.42 110.41 179.894 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' 2034 ' ' ALA . 4.3 mt -70.9 -34.67 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 75.12 109.282 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.668 ' HD1' HG12 ' A' 2044 ' ' VAL . 83.7 t80 -83.35 -55.4 4.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 73.15 110.997 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -69.71 -48.63 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 75.24 110.988 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' 2036 ' ' ARG . . . -58.0 -56.66 23.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 62.22 110.985 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' 2037 ' ' LEU . 13.2 tp10 -127.77 167.82 15.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 0.762 . . . . 75.31 110.232 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 43.27 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 64.23 110.38 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.449 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 58.0 m-20 -123.28 92.24 3.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 75.43 109.32 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.958 HG11 HD21 ' A' 2097 ' ' LEU . 30.7 m -72.32 -14.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.075 . . . . 64.12 109.231 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.449 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.91 -44.38 60.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 73.34 109.302 179.918 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.685 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.28 -53.01 36.92 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 74.31 111.027 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.57 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 7.1 tmm? -53.96 -46.97 71.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 0.738 . . . . 72.22 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.6 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 9.3 m-85 -63.49 -39.2 93.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 54.41 110.994 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.0 mt-10 -75.5 -13.79 60.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.571 1.17 . . . . 71.24 110.281 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' 2046 ' ' GLY . 23.1 t -84.6 -43.29 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.642 1.214 . . . . 74.32 109.33 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.659 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.59 -46.53 25.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 55.25 109.271 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.6 OUTLIER -34.6 -55.34 0.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 71.21 110.284 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.573 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.5 Cg_endo -74.96 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 71.33 110.961 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.518 HD22 ' SD ' ' A' 2026 ' ' MET . 16.9 mt -49.3 -56.65 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 75.43 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' 2051 ' ' LEU . 3.4 m-70 -59.57 -50.45 73.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 75.5 109.63 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.5 ' CB ' HH21 ' A' 2060 ' ' ARG . . . -51.67 -49.9 61.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 62.12 109.3 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.524 ' HE2' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.55 -39.36 57.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 62.44 110.957 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.617 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 2.3 mmt -67.9 -33.56 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 72.33 110.959 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' 2059 ' ' GLU . 4.9 mm-40 -73.21 -63.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 74.15 110.275 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.5 HH21 ' CB ' ' A' 2056 ' ' ALA . 3.5 ptt180 -71.46 -18.59 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.414 1.071 . . . . 73.34 110.28 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2057 ' ' MET . . . -116.64 79.83 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.147 . . . . 50.23 111.006 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.581 1.832 . . . . 53.44 110.959 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.505 ' C ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -145.9 -80.45 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.625 1.203 . . . . 73.21 110.296 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.505 HG23 ' C ' ' A' 2063 ' ' GLN . 27.0 p -156.95 -173.47 4.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 45.34 110.359 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.0 OUTLIER -61.75 -32.91 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.263 0.977 . . . . 70.02 109.341 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.3 86.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.23 109.368 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.557 ' HG2' ' CZ3' ' A' 2023 ' ' TRP . 0.3 OUTLIER -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.2 110.232 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 39.5 m -61.85 -36.13 80.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 72.44 110.377 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.12 74.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.626 1.204 . . . . 55.52 110.124 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.673 ' HE2' HG22 ' A' 2111 ' ' ILE . 38.8 t80 -63.18 -52.39 62.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 70.32 111.011 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' 2075 ' ' GLY . 0.9 OUTLIER -62.03 -29.47 70.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 74.45 109.371 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.78 -39.0 31.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 65.22 110.322 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -57.9 -24.78 59.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.42 109.412 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.814 ' HD1' HG22 ' A' 2107 ' ' VAL . 35.9 m-85 -118.45 -13.6 9.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 73.34 111.009 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.86 -38.87 4.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 53.21 111.022 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2076 ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -81.59 -26.24 35.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 75.34 110.367 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' 2074 ' ' TYR . 73.7 m-20 -80.12 -52.39 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 64.24 109.283 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.801 HD11 ' HH2' ' A' 2027 ' ' TRP . 4.4 mt -57.03 -43.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 64.23 109.275 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2079 ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' 2076 ' ' ARG . 11.1 ptm -66.48 -40.58 89.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 73.52 110.966 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.489 ' N ' ' HG3' ' A' 2079 ' ' MET . 54.7 tt0 -67.71 -57.92 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 73.42 110.326 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -56.93 -43.22 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 63.33 109.384 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2082 ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.9 tp60 -58.32 -39.28 79.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 71.31 110.251 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -37.89 89.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 60.13 110.225 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.4 m95 -66.07 -35.03 79.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 72.32 108.013 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.7 t -61.56 -48.07 82.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 71.14 108.341 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' 2082 ' ' GLN . 5.4 mtp180 -59.98 -38.73 83.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.34 110.233 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' 2091 ' ' SER . 6.5 mtpm? -59.98 -42.39 94.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.54 109.329 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 2092 ' ' GLY . 1.4 t80 -73.35 -48.28 35.51 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.48 1.112 . . . . 71.23 110.994 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -30.37 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.665 1.228 . . . . 51.01 111.048 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.69 -56.74 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 74.45 109.347 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.5 t -72.02 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 61.24 110.021 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.63 83.67 1.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.398 1.061 . . . . 53.01 110.968 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.26 121.45 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 62.54 109.305 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.23 -20.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.41 1.069 . . . . 75.55 109.332 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.3 tptt -62.78 -50.85 69.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 72.11 109.29 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -37.38 75.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 72.45 109.259 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.958 HD21 HG11 ' A' 2044 ' ' VAL . 0.3 OUTLIER -65.61 -47.14 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 71.01 109.299 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -59.59 -43.45 93.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 75.4 110.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 74.2 110.262 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.31 -44.95 84.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 40.12 109.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.622 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.1 OUTLIER -66.37 -30.9 71.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.32 108.054 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.44 -50.64 64.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 74.41 109.284 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.783 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 9.3 mt -57.74 -46.99 83.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.378 1.049 . . . . 74.35 109.23 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.95 -47.06 86.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 72.34 111.051 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.82 -48.59 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 72.42 111.019 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.49 -44.5 96.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.425 1.078 . . . . 74.22 109.502 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.814 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.4 t -61.75 -57.04 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 54.2 109.356 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.071 ' CG ' HD11 ' A' 2031 ' ' LEU . 25.2 m-85 -64.66 -27.34 68.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 74.22 111.021 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.62 ' NE ' ' HZ2' ' A' 2113 ' ' LYS . 3.9 ttm180 -73.93 -26.7 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 63.13 110.242 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -51.98 10.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 74.23 110.287 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.673 HG22 ' HE2' ' A' 2070 ' ' PHE . 11.9 pt -43.18 -34.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 42.31 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 79.1 p -84.0 -53.65 5.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.463 1.102 . . . . 63.41 109.988 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 2113 ' ' LYS . . . . . 0.62 ' HZ2' ' NE ' ' A' 2109 ' ' ARG . 3.5 mttt -43.67 159.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 73.32 109.38 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 10.5 tm0? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 73.52 110.331 -179.963 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 6.3 mmt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.6 0.238 . . . . 72.23 110.943 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A 2015 ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' 2016 ' ' LEU . 49.0 mt-10 -116.29 -12.94 11.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 73.32 110.223 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.637 ' HB3' HD12 ' A' 2017 ' ' ILE . 3.4 mm? 68.84 -109.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 1.196 . . . . 70.51 109.275 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' 2016 ' ' LEU . 1.0 OUTLIER -141.75 114.31 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 60.45 109.284 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' 2019 ' ' VAL . 0.0 OUTLIER 179.52 147.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.43 110.354 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.696 HG13 ' HD2' ' A' 2020 ' ' PRO . 67.3 t -38.79 143.59 0.45 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 62.23 109.241 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.696 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.7 Cg_endo -74.96 -90.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 74.32 111.105 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.8 ' O ' HD12 ' A' 2021 ' ' ILE . 2.2 pp -63.75 81.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.453 1.096 . . . . 71.45 109.269 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.569 HD22 HG11 ' A' 2019 ' ' VAL . 1.5 tp -159.29 155.13 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 71.02 109.269 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.577 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -78.44 -51.05 10.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.158 . . . . 74.41 108.05 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -47.15 -22.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 74.4 109.678 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.2 tp10 -68.72 -35.25 76.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 74.15 110.324 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -79.55 -33.09 42.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 61.14 111.082 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.71 ' CH2' HD21 ' A' 2078 ' ' LEU . 64.6 m95 -67.68 -47.71 68.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 71.45 108.005 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -57.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 63.32 109.585 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.2 OUTLIER -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.351 1.032 . . . . 62.25 110.279 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.65 -62.85 5.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 64.41 110.983 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2031 ' ' LEU . . . . . 0.945 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.6 mt -60.21 -32.0 70.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 0.804 . . . . 54.54 109.379 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -54.15 -47.69 71.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 53.31 110.316 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.902 ' OE1' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER -78.15 -50.6 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 72.22 110.29 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -53.7 -46.46 70.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.33 109.256 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' 2031 ' ' LEU . 41.2 t -67.47 -44.08 79.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 65.14 109.968 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.57 -51.93 63.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.363 1.039 . . . . 65.11 110.374 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.902 HD23 ' OE1' ' A' 2033 ' ' GLU . 3.5 pp -70.1 -41.2 74.31 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 72.43 109.345 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.507 ' CD1' HG12 ' A' 2044 ' ' VAL . 49.4 t80 -53.89 -54.74 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 65.02 110.965 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2039 ' ' PHE . . . . . 0.401 ' CD2' ' HD2' ' A' 2038 ' ' TYR . 45.8 m-85 -77.02 -42.94 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 74.04 110.964 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -74.78 -71.53 1.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.165 . . . . 64.32 110.975 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' 2037 ' ' LEU . 4.9 tp10 -53.65 -37.57 63.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 72.53 110.392 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' 2041 ' ' GLU . 4.2 tpt180 83.91 12.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.585 1.178 . . . . 73.13 110.264 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.452 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 0.8 OUTLIER -114.46 128.79 56.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 74.22 109.318 179.906 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2044 ' ' VAL . . . . . 1.08 HG11 HD21 ' A' 2097 ' ' LEU . 35.8 m -82.76 -27.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 74.25 109.273 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.452 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.83 -39.53 25.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.385 1.053 . . . . 74.24 109.323 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -57.75 -53.89 41.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 70.33 111.061 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.551 ' HA ' ' HB1' ' A' 2034 ' ' ALA . 4.7 tmm? -53.29 -42.39 66.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 0.731 . . . . 70.52 110.921 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.586 ' HZ ' HD13 ' A' 2097 ' ' LEU . 13.0 m-85 -65.56 -36.98 85.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 70.44 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.549 ' O ' ' CD ' ' A' 2053 ' ' PRO . 26.9 mt-10 -75.63 -14.59 60.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.608 1.192 . . . . 72.23 110.309 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.828 ' O ' HD22 ' A' 2054 ' ' LEU . 18.9 t -84.41 -43.95 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.624 1.203 . . . . 60.15 109.225 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.692 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.88 -45.23 28.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 75.11 109.359 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.448 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.39 -54.41 1.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 71.21 110.341 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.587 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.01 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 71.51 110.988 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.89 -55.37 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 60.43 109.28 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.405 ' O ' ' HG2' ' A' 2059 ' ' GLU . 5.1 m-70 -59.81 -52.01 67.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.517 1.136 . . . . 75.3 109.654 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.95 -49.87 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 64.31 109.254 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.13 -37.96 49.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 72.4 110.965 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.577 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -67.9 -35.33 78.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 74.11 111.076 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' 2055 ' ' HIS . 7.3 mm-40 -72.47 -63.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.368 1.042 . . . . 73.43 110.296 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' 2056 ' ' ALA . 15.0 ptm180 -72.09 -14.82 61.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 75.12 110.357 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.54 73.26 0.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.629 1.206 . . . . 45.12 110.974 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 74.3 111.061 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' 2064 ' ' THR . 3.5 tt0 -147.5 -72.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.35 1.031 . . . . 54.51 110.392 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.518 HG23 ' O ' ' A' 2063 ' ' GLN . 12.8 p -156.3 176.69 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 74.55 110.353 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -62.84 -27.63 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 74.11 109.382 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -38.88 78.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 70.14 109.316 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.499 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -78.9 -20.81 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 65.32 110.309 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.2 m -60.2 -26.72 66.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 74.33 110.352 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -32.28 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 63.42 109.939 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.57 ' HE2' HG22 ' A' 2111 ' ' ILE . 32.5 t80 -68.6 -47.91 65.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.456 1.098 . . . . 75.11 111.027 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 4.1 t30 -71.79 -28.58 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.45 109.31 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.27 -52.4 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 74.12 110.337 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.36 -49.56 5.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 73.11 109.285 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.593 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.2 m-85 -95.34 -16.43 22.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 73.21 110.972 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.25 -33.74 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 72.13 111.075 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2076 ' ' ARG . . . . . 0.554 ' CD ' ' N ' ' A' 2077 ' ' ASP . 0.0 OUTLIER -79.58 -41.28 27.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 55.2 110.322 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' 2076 ' ' ARG . 13.0 m-20 -62.46 -57.84 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.592 1.182 . . . . 53.4 109.362 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.71 HD21 ' CH2' ' A' 2027 ' ' TRP . 9.1 mp -52.25 -44.3 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 73.44 109.301 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -49.78 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 71.43 110.952 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.0 tt0 -70.88 -48.17 55.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 52.43 110.28 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.623 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.55 -45.1 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 53.22 109.285 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -63.15 -36.92 85.22 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.572 1.17 . . . . 74.5 110.355 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.533 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -62.91 -35.29 79.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 74.45 110.299 179.896 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.7 m95 -76.87 -25.51 53.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.956 -1.127 . . . . 51.45 107.956 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.539 ' SG ' ' CD1' ' A' 2048 ' ' PHE . 3.3 t -70.97 -58.43 3.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.656 1.222 . . . . 75.25 108.326 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.533 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.9 OUTLIER -66.05 -28.27 68.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 72.23 110.339 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -70.09 -38.27 75.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.41 109.307 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.401 ' CE2' HD22 ' A' 2097 ' ' LEU . 14.5 t80 -77.1 -40.79 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 64.5 111.038 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 2.6 mtt -60.43 -44.12 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 62.44 111.032 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -56.92 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.354 1.034 . . . . 75.12 109.277 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.91 81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.13 109.962 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -131.89 -140.02 4.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 42.35 110.971 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -149.56 159.59 44.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.51 0.77 . . . . 75.14 109.312 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -36.98 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 72.13 109.246 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -49.6 44.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.44 1.088 . . . . 75.34 109.301 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -64.78 -39.6 93.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 74.45 109.298 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2097 ' ' LEU . . . . . 1.08 HD21 HG11 ' A' 2044 ' ' VAL . 0.7 OUTLIER -62.68 -46.79 86.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 65.54 109.31 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.8 m -59.02 -39.7 82.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 72.23 110.449 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.416 ' O ' HD12 ' A' 2103 ' ' LEU . 1.5 tt0 -60.44 -50.16 74.71 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.633 1.208 . . . . 64.42 110.373 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -54.01 -49.48 68.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.41 109.3 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.655 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.71 -37.09 80.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 74.41 107.997 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.69 -51.32 70.03 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 73.52 109.291 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.623 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.5 mp -54.84 -53.96 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 70.03 109.317 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.485 ' O ' HG22 ' A' 2107 ' ' VAL . 13.8 m-85 -54.88 -54.51 41.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.5 111.007 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.559 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.76 -38.49 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 75.05 110.961 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -54.47 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.31 109.652 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.632 HG21 HD11 ' A' 2078 ' ' LEU . 0.9 OUTLIER -65.87 -49.93 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.18 . . . . 72.52 109.311 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.945 ' CG ' HD11 ' A' 2031 ' ' LEU . 16.6 m-85 -61.32 -28.68 69.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.357 1.035 . . . . 71.01 111.033 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.559 ' CB ' ' O ' ' A' 2105 ' ' TYR . 28.1 ttt180 -74.96 -32.61 61.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 72.21 110.306 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -70.28 -51.45 30.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 64.34 110.233 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.57 HG22 ' HE2' ' A' 2070 ' ' PHE . 18.1 pt -44.9 -31.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 75.02 109.287 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2112 ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' 2113 ' ' LYS . 6.0 m -82.43 -57.01 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.31 109.97 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 2113 ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER -39.81 134.33 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 74.32 109.333 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 74.12 110.297 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 11.8 mtt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.62 0.248 . . . . 73.42 110.989 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.19 -11.23 11.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 74.54 110.269 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.664 HD12 ' NH1' ' A' 2018 ' ' ARG . 0.5 OUTLIER -87.8 55.04 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 73.44 109.24 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' 2016 ' ' LEU . 21.9 mm -120.94 138.66 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 73.25 109.28 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.664 ' NH1' HD12 ' A' 2016 ' ' LEU . 0.0 OUTLIER -166.61 177.44 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 74.31 110.33 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.694 HG13 ' HD2' ' A' 2020 ' ' PRO . 75.8 t -74.25 142.89 79.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.41 109.332 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.694 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.2 Cg_endo -75.07 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 74.23 111.019 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.607 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -106.12 88.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 73.4 109.295 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -173.77 164.09 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 75.11 109.258 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.589 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.4 m0 -49.15 -48.09 45.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.114 . . . . 72.22 107.991 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.0 m170 -47.15 -22.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 75.02 109.554 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' 2022 ' ' LEU . 14.2 tp10 -70.27 -37.57 74.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 73.41 110.346 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -73.93 -32.36 63.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.622 1.201 . . . . 61.52 111.028 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 61.7 m95 -68.1 -50.15 56.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.97 -1.122 . . . . 73.02 107.97 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -43.7 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 75.34 109.596 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' 2025 ' ' GLU . 5.9 mm-40 -66.49 -40.92 89.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.578 1.174 . . . . 72.25 110.339 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -56.47 -61.95 6.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 62.33 110.952 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2031 ' ' LEU . . . . . 0.946 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.3 mt -59.33 -32.84 70.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 74.34 109.32 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -54.36 38.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 60.25 110.319 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 74.41 110.291 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -53.85 -44.98 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 53.31 109.293 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.7 p -74.31 -47.82 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 75.52 109.944 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -51.19 -51.16 56.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 74.41 110.301 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' 2041 ' ' GLU . 2.9 pp -66.78 -43.34 84.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 72.52 109.343 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.628 ' CD1' HG22 ' A' 2044 ' ' VAL . 48.1 t80 -55.73 -48.75 74.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.327 1.017 . . . . 65.11 111.009 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -76.53 -46.46 26.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 71.44 110.972 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -80.38 -71.22 1.29 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.129 . . . . 53.31 111.006 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' 2037 ' ' LEU . 0.5 OUTLIER -48.3 -46.78 36.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.369 0.688 . . . . 73.11 110.383 179.916 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' A' 2041 ' ' GLU . 0.1 OUTLIER 85.83 14.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.078 . . . . 75.11 110.242 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.6 m-20 -116.31 104.37 11.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.16 . . . . 71.33 109.279 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.795 HG12 ' CE2' ' A' 2048 ' ' PHE . 42.8 t -60.96 -25.69 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 75.41 109.338 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -50.61 -33.66 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 70.21 109.309 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -63.33 -53.86 36.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.542 1.151 . . . . 53.44 111.04 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.624 ' CE ' ' CE1' ' A' 2048 ' ' PHE . 8.7 tmm? -52.93 -41.93 64.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.565 0.803 . . . . 45.42 111.032 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.795 ' CE2' HG12 ' A' 2044 ' ' VAL . 14.7 m-85 -68.3 -37.18 80.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 62.33 111.013 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 33.8 mt-10 -76.17 -14.02 60.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.24 110.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.75 ' O ' HD22 ' A' 2054 ' ' LEU . 17.5 t -84.41 -44.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 74.52 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.56 -45.56 30.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 73.42 109.286 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.466 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.11 -55.21 1.02 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 73.22 110.392 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.566 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.99 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 75.12 110.988 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.94 -56.27 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 64.12 109.329 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' 2051 ' ' LEU . 0.8 OUTLIER -58.88 -52.48 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.063 . . . . 63.34 109.585 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.73 -50.2 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 53.51 109.293 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.522 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.14 -37.23 45.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 65.54 111.011 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.3 mmt -68.93 -32.49 72.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.546 1.154 . . . . 75.24 110.995 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.09 -64.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.32 110.278 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.9 OUTLIER -71.24 -16.96 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 73.55 110.3 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.26 76.35 0.32 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.595 1.185 . . . . 22.11 111.017 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.389 1.731 . . . . 64.44 111.014 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.504 ' C ' HG23 ' A' 2064 ' ' THR . 2.2 tp60 -151.78 -76.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.32 110.349 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.504 HG23 ' C ' ' A' 2063 ' ' GLN . 39.9 p -156.27 179.92 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 73.0 110.388 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -59.87 -27.86 67.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.11 109.326 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -35.21 80.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 54.24 109.254 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -22.45 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 60.4 110.318 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.0 OUTLIER -60.35 -36.62 78.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.31 110.542 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 37.8 m -73.37 -32.0 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 61.22 109.963 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.598 ' HE1' HG22 ' A' 2111 ' ' ILE . 71.6 t80 -66.26 -52.19 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 73.32 111.062 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.506 ' O ' ' CA ' ' A' 2075 ' ' GLY . 2.0 t-20 -66.0 -29.08 69.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 72.21 109.302 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -78.11 -51.44 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 74.24 110.329 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.25 -53.55 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 33.45 109.222 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.639 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.6 m-85 -92.78 -17.42 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 74.32 110.965 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.16 -29.79 0.23 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.612 1.195 . . . . 72.32 110.994 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.83 -45.42 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 71.35 110.232 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' 2074 ' ' TYR . 3.4 m-20 -62.09 -58.09 9.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.32 109.377 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.829 HD11 HG21 ' A' 2107 ' ' VAL . 9.8 mp -52.95 -36.1 59.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 63.05 109.314 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2079 ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.0 OUTLIER -56.36 -53.84 52.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.433 1.083 . . . . 73.23 110.994 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.679 ' OE1' HD22 ' A' 2103 ' ' LEU . 2.8 pt-20 -72.38 -36.62 68.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.434 1.084 . . . . 72.23 110.243 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -63.28 -41.9 99.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 71.14 109.354 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -33.57 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 70.23 110.309 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -36.71 79.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 71.13 110.266 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' 2080 ' ' GLU . 97.1 m95 -67.76 -37.03 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 73.24 108.121 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.2 t -61.04 -50.65 72.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 74.13 108.383 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -41.56 86.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 74.53 110.261 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.24 -46.12 79.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 74.14 109.289 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.578 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 1.2 t80 -69.78 -46.69 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 75.45 111.041 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.587 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 2.7 mtt -58.38 -27.55 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 65.04 111.062 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -56.23 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 71.51 109.309 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 38.3 m -78.14 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 62.15 110.024 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.57 86.23 1.92 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 43.5 111.014 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.77 118.79 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 52.22 109.303 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -53.79 -30.6 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.592 1.183 . . . . 63.03 109.29 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.14 -50.28 73.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 72.54 109.241 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2096 ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' 2096 ' ' ASP . 0.0 OUTLIER -67.5 -39.71 85.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.351 1.032 . . . . 54.03 109.238 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.739 HD21 HG21 ' A' 2044 ' ' VAL . 12.5 tp -62.59 -43.0 99.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 74.21 109.308 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 19.4 m -61.07 -47.25 87.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.645 1.216 . . . . 50.42 110.389 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -45.69 81.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 74.22 110.253 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.61 -47.0 88.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.22 109.335 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.735 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -63.69 -30.44 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 74.12 108.071 179.888 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.18 -48.65 67.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 63.14 109.319 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.679 HD22 ' OE1' ' A' 2080 ' ' GLU . 14.2 mt -57.64 -51.63 68.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 64.44 109.301 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.491 ' O ' HG22 ' A' 2107 ' ' VAL . 19.7 m-85 -54.35 -55.67 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 74.04 110.962 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.85 -38.89 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 72.41 110.996 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.94 -54.2 49.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 74.43 109.512 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.829 HG21 HD11 ' A' 2078 ' ' LEU . 0.9 OUTLIER -68.18 -49.03 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 74.23 109.348 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.946 ' CG ' HD11 ' A' 2031 ' ' LEU . 13.6 m-85 -60.34 -29.06 68.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 62.2 110.959 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' A' 2105 ' ' TYR . 1.7 ttm105 -75.29 -35.0 61.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 73.12 110.352 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -67.31 -51.48 52.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 74.42 110.229 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.598 HG22 ' HE1' ' A' 2070 ' ' PHE . 17.1 pt -45.26 -33.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.2 109.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 72.9 m -88.16 -52.92 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 65.1 109.948 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.35 127.79 4.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 44.45 109.338 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 54.12 110.342 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 8.0 mtm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.533 0.206 . . . . 73.34 111.008 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.01 -8.85 14.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 72.0 110.181 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 5.8 mp 65.84 -114.74 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 54.02 109.306 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.21 155.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 74.33 109.351 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' 2019 ' ' VAL . 0.2 OUTLIER 179.56 136.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 72.3 110.321 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.7 HG13 ' HG ' ' A' 2022 ' ' LEU . 0.1 OUTLIER -124.4 124.07 25.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 70.34 109.293 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.467 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.6 Cg_endo -75.07 -21.15 16.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.582 1.833 . . . . 71.34 110.978 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.538 ' N ' HD13 ' A' 2021 ' ' ILE . 0.0 OUTLIER -109.6 97.81 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.486 1.116 . . . . 74.04 109.321 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.7 ' HG ' HG13 ' A' 2019 ' ' VAL . 0.0 OUTLIER -176.86 -158.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 74.42 109.283 -179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.512 ' O ' ' N ' ' A' 2026 ' ' MET . 9.9 m0 -43.95 -52.38 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 73.12 108.053 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.548 ' H ' HD22 ' A' 2022 ' ' LEU . 17.8 m170 -44.07 -37.49 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.517 1.135 . . . . 74.42 109.645 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' 2022 ' ' LEU . 0.8 OUTLIER -60.21 -36.32 77.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 54.24 110.266 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.987 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -71.4 -29.65 65.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 70.51 111.008 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.799 ' HH2' HD21 ' A' 2078 ' ' LEU . 79.3 m95 -71.94 -48.52 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.103 -1.073 . . . . 74.44 108.103 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 m170 -62.94 -59.48 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 63.13 109.608 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.2 tt0 -59.29 -46.45 88.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 71.24 110.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.16 -63.69 4.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 73.23 110.99 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.059 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.3 tp -58.02 -30.39 66.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 0.81 . . . . 73.51 109.291 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.518 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.45 -46.81 76.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 72.14 110.318 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.518 ' N ' ' HG2' ' A' 2032 ' ' GLU . 1.3 tt0 -73.01 -50.51 22.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 64.14 110.34 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.801 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -56.3 -48.9 75.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 75.23 109.283 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 13.0 t -57.64 -43.33 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.42 1.075 . . . . 44.13 110.032 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.444 ' O ' ' CA ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -59.35 -34.99 73.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 73.13 110.205 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.801 HD12 ' HA ' ' A' 2034 ' ' ALA . 2.6 mt -70.22 -35.09 73.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 63.22 109.303 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' 2044 ' ' VAL . 69.1 t80 -82.28 -55.9 4.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 45.22 111.01 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -73.13 -47.64 42.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 63.43 111.08 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -67.35 -57.98 8.53 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.42 1.075 . . . . 23.15 111.007 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' 2037 ' ' LEU . 2.0 mt-10 -111.09 -178.82 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.698 0.881 . . . . 74.35 110.272 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -110.52 27.83 9.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 74.12 110.228 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.475 ' CA ' ' HD3' ' A' 2045 ' ' LYS . 28.6 m-20 -113.16 94.61 4.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 63.23 109.28 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2044 ' ' VAL . . . . . 1.029 HG11 HD11 ' A' 2097 ' ' LEU . 14.4 t -67.9 -19.65 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 72.1 109.231 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.475 ' HD3' ' CA ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.77 -40.58 55.29 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.533 1.146 . . . . 70.44 109.332 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.761 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.26 -52.94 33.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.625 1.203 . . . . 74.51 110.981 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.56 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 11.4 tmm? -56.77 -52.88 63.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 70.24 111.028 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.664 ' CD2' ' CE ' ' A' 2089 ' ' MET . 5.9 m-85 -51.38 -46.08 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 61.22 111.068 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.4 pt-20 -73.2 -14.54 61.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 75.13 110.344 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' 2046 ' ' GLY . 24.1 t -87.68 -43.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 75.31 109.361 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.82 HD23 ' N ' ' A' 2051 ' ' LEU . 0.4 OUTLIER -78.01 -39.21 42.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 74.11 109.301 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -42.59 -55.08 7.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 54.33 110.328 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.572 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -75.0 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.657 1.872 . . . . 65.44 110.975 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.987 HD22 ' SD ' ' A' 2026 ' ' MET . 43.8 mt -48.96 -55.42 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 64.54 109.32 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.411 ' O ' ' OE2' ' A' 2059 ' ' GLU . 18.0 m-70 -60.6 -53.04 62.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 75.03 109.526 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.95 -49.73 59.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 70.13 109.269 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.547 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.38 -38.48 53.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 52.01 111.013 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.658 ' HE3' ' HE3' ' A' 2026 ' ' MET . 0.0 OUTLIER -70.26 -30.02 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 75.43 110.99 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.413 ' N ' ' CD ' ' A' 2059 ' ' GLU . 5.2 mm-40 -77.77 -63.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 54.51 110.258 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.9 ptm180 -72.73 -21.77 60.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 71.3 110.272 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.547 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.83 83.68 0.34 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.439 1.087 . . . . 50.14 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.96 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.778 . . . . 71.44 111.027 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 16.6 tp60 -144.76 -71.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 73.44 110.233 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 5.3 t -162.2 175.79 11.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 72.12 110.417 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -39.72 69.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 72.04 109.278 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -57.37 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 64.04 109.271 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 1.7 tp10 -63.63 -31.81 73.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 74.42 110.298 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 29.6 m -54.79 -32.61 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 74.43 110.379 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 44.22 109.97 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.495 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 48.5 t80 -62.81 -53.06 60.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 41.34 110.946 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.72 -29.83 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 72.12 109.277 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -77.41 -53.88 7.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 72.23 110.321 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -52.63 -32.85 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.53 109.324 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.836 ' CD2' HG13 ' A' 2107 ' ' VAL . 3.0 m-85 -90.92 -30.8 16.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 72.34 111.113 179.874 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -42.46 -27.85 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 73.41 110.961 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -44.28 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 0.805 . . . . 75.15 110.294 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' 2074 ' ' TYR . 48.0 m-20 -67.09 -55.09 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 75.33 109.304 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.799 HD21 ' HH2' ' A' 2027 ' ' TRP . 4.5 mp -52.39 -43.87 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 73.55 109.249 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.4 ttm -56.05 -50.76 70.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 74.43 110.996 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.504 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.2 tt0 -65.62 -49.23 69.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 74.43 110.361 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -55.85 -42.14 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.435 1.084 . . . . 73.43 109.381 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2082 ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.9 OUTLIER -61.27 -36.98 81.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 62.12 110.302 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.499 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 73.41 110.294 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.85 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.0 m95 -74.86 -24.12 58.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 75.22 107.963 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.44 -58.86 4.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 42.52 108.24 -179.895 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.499 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.6 OUTLIER -62.09 -28.44 69.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 73.23 110.27 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.498 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -61.66 -50.59 71.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 73.34 109.27 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.584 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.5 OUTLIER -71.16 -42.57 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 75.13 111.04 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.664 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -55.46 -36.28 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 53.41 110.953 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -56.82 2.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 62.42 109.326 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.2 t -63.0 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 63.3 110.027 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.4 82.98 1.67 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 65.22 110.97 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t30 -162.59 113.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 75.03 109.328 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.3 t -52.46 -28.41 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 61.15 109.294 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -53.06 47.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.33 109.356 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.2 -34.62 78.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 72.2 109.232 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2097 ' ' LEU . . . . . 1.029 HD11 HG11 ' A' 2044 ' ' VAL . 0.3 OUTLIER -65.41 -44.52 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 63.41 109.304 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -59.53 -52.32 66.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 70.42 110.438 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2099 ' ' GLN . . . . . 0.404 ' O ' HD12 ' A' 2103 ' ' LEU . 1.1 mm-40 -52.77 -49.15 66.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 71.24 110.271 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.89 -48.17 80.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 60.53 109.246 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.56 -32.98 70.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 74.11 108.058 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -51.58 69.0 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.621 1.201 . . . . 75.4 109.278 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.504 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.8 mp -56.18 -52.86 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 54.33 109.279 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -57.31 -46.04 83.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.2 110.916 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -49.96 -45.9 51.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.54 110.978 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -63.47 -42.55 98.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 43.3 109.59 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.836 HG13 ' CD2' ' A' 2074 ' ' TYR . 2.1 t -60.35 -55.62 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 71.31 109.265 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.059 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -69.11 -27.21 65.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 63.33 111.08 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' 2105 ' ' TYR . 34.3 ttm-85 -77.04 -25.13 52.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.14 110.254 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2110 ' ' ARG . . . . . 0.445 ' HB3' ' OH ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -78.45 -51.08 10.53 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.389 1.056 . . . . 71.42 110.266 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.51 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 13.0 pt -42.44 -29.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 71.54 109.304 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2112 ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' 2110 ' ' ARG . 70.3 p -91.94 -50.1 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 73.45 110.01 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.83 167.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 60.31 109.321 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.129 . . . . 75.43 110.271 -179.977 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.493 0.187 . . . . 73.13 110.982 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.62 -15.03 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 73.15 110.237 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 70.2 7.82 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.621 1.201 . . . . 73.52 109.29 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 3.5 mp 61.82 141.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 74.13 109.267 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -120.3 130.55 54.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 71.15 110.245 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' 2020 ' ' PRO . 65.1 t -131.38 142.51 45.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.404 1.065 . . . . 62.12 109.245 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.3 Cg_endo -75.02 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.438 1.757 . . . . 75.12 110.992 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.682 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -100.91 100.9 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 62.22 109.259 -179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -177.44 -157.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 63.13 109.329 179.93 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.616 ' CZ3' ' CG ' ' A' 2067 ' ' GLU . 3.8 m0 -66.57 -54.0 28.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 72.34 107.985 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.6 m80 -45.63 -24.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 64.24 109.561 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.1 tt0 -69.94 -36.12 75.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 73.01 110.253 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.525 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -75.79 -32.12 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.12 110.984 -179.958 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.639 ' CH2' HD21 ' A' 2078 ' ' LEU . 63.2 m95 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.33 108.056 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -58.7 4.51 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.125 . . . . 75.41 109.548 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 0.7 OUTLIER -62.66 -44.68 95.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 71.42 110.377 179.931 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.15 -64.36 4.06 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.523 1.139 . . . . 61.05 111.033 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.093 HD22 ' CD2' ' A' 2108 ' ' PHE . 5.0 tp -58.15 -29.64 65.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 70.14 109.296 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 1.8 tm-20 -53.17 -52.15 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 62.31 110.322 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.84 -51.27 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 74.53 110.285 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.891 ' HB1' ' HG3' ' A' 2047 ' ' MET . . . -53.42 -49.44 67.31 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.319 1.012 . . . . 60.1 109.228 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.466 ' OG ' ' CD1' ' A' 2039 ' ' PHE . 19.0 t -61.4 -42.02 98.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 73.4 110.089 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.495 ' O ' ' CA ' ' A' 2040 ' ' GLY . 48.4 ttt85 -55.1 -36.85 66.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 73.23 110.374 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.637 HD23 ' CB ' ' A' 2042 ' ' ARG . 4.9 mt -71.52 -39.68 70.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 74.32 109.305 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -75.19 -56.53 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 72.53 111.027 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2039 ' ' PHE . . . . . 0.466 ' CD1' ' OG ' ' A' 2035 ' ' SER . 41.0 m-85 -74.41 -47.18 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 64.33 110.982 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -78.98 -2.1 86.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.575 1.172 . . . . 64.22 111.095 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' 2042 ' ' ARG . 9.7 tt0 59.91 142.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.463 0.743 . . . . 72.24 110.329 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.637 ' CB ' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER 172.62 -57.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.449 1.093 . . . . 75.23 110.276 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2046 ' ' GLY . 2.8 t-20 170.16 109.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 75.14 109.305 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.4 t -46.53 -31.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -55.26 -34.34 63.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 75.44 109.276 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.582 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -57.41 -55.08 32.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 74.14 110.969 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.891 ' HG3' ' HB1' ' A' 2034 ' ' ALA . 24.4 ttp -54.64 -54.8 36.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 0.732 . . . . 74.3 111.052 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.699 ' CD2' ' HE3' ' A' 2089 ' ' MET . 9.3 m-85 -52.46 -36.93 55.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 70.42 110.973 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.55 ' O ' ' CD ' ' A' 2053 ' ' PRO . 22.7 mt-10 -76.59 -16.19 59.65 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.472 1.107 . . . . 73.25 110.27 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.666 HG12 HD23 ' A' 2051 ' ' LEU . 2.6 t -86.15 -41.93 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 71.03 109.307 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' 2051 ' ' LEU . 0.1 OUTLIER -78.1 -44.6 25.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 64.43 109.33 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -37.3 -54.74 1.95 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 75.31 110.374 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.559 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.1 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 51.14 110.959 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.519 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 19.6 mt -49.07 -57.73 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.42 109.345 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 3.0 m-70 -59.53 -50.45 73.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 73.5 109.593 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' 2052 ' ' GLU . . . -52.57 -47.07 67.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 74.52 109.216 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.525 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.71 -39.78 58.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 75.12 110.953 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.612 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 3.6 mmt -70.32 -30.27 67.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 72.14 110.916 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.08 -63.14 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 73.34 110.306 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' 2056 ' ' ALA . 13.5 ptt180 -74.74 -16.01 60.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 74.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.2 74.19 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 70.31 110.971 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 64.1 110.989 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.16 -70.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 71.01 110.324 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' 2066 ' ' LYS . 6.8 t -171.91 170.82 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 75.31 110.382 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -29.34 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 64.04 109.309 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2066 ' ' LYS . . . . . 0.586 ' HB2' HG23 ' A' 2064 ' ' THR . 13.7 mtpt -68.49 -37.51 80.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 74.33 109.205 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.616 ' CG ' ' CZ3' ' A' 2023 ' ' TRP . 2.6 tp10 -85.42 -21.33 28.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 73.04 110.294 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 15.3 m -55.41 -32.17 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 64.23 110.435 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -33.44 73.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.627 1.204 . . . . 74.25 110.002 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 42.1 t80 -66.73 -53.27 35.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 70.31 111.063 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.544 ' O ' ' CA ' ' A' 2075 ' ' GLY . 3.8 t30 -62.39 -30.21 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 73.51 109.263 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -79.17 -49.97 11.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 71.41 110.302 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.81 -54.16 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 73.42 109.387 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.662 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.8 m-85 -93.32 -19.81 20.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 72.01 110.953 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.544 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.46 -30.26 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 72.31 111.03 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.6 OUTLIER -80.92 -44.74 17.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.513 0.772 . . . . 74.23 110.252 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' 2074 ' ' TYR . 23.5 m-20 -61.03 -58.96 6.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.353 1.033 . . . . 60.13 109.269 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.639 HD21 ' CH2' ' A' 2027 ' ' TRP . 8.6 mp -50.93 -44.53 60.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 44.41 109.198 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.2 mtt -50.83 -49.46 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.32 110.992 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 15.6 tt0 -71.93 -47.42 52.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.15 110.297 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.5 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -54.88 -42.66 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 31.12 109.318 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2082 ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' A' 2085 ' ' CYS . 3.9 tt0 -64.9 -37.48 87.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 70.32 110.317 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' 2084 ' ' TRP . 0.0 OUTLIER -62.68 -39.61 94.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 51.44 110.253 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.449 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.0 m95 -69.28 -34.03 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.934 -1.135 . . . . 74.23 107.934 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.606 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.8 t -58.29 -56.59 20.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 65.04 108.337 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -40.01 71.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 74.22 110.271 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' 2091 ' ' SER . 1.6 mtpp -57.67 -46.71 83.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 64.14 109.277 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.535 ' CZ ' HD22 ' A' 2097 ' ' LEU . 7.2 t80 -73.37 -34.31 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 72.42 111.056 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.699 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.7 mtt -65.13 -35.32 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 71.23 110.931 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -56.96 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 73.33 109.232 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.9 t -62.97 -64.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 54.4 109.991 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 97.89 79.3 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 55.5 111.033 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.93 109.56 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 73.54 109.341 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -48.19 -35.59 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.624 1.202 . . . . 74.24 109.258 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.4 tttp -49.66 -52.25 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 61.44 109.216 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.3 109.326 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.535 HD22 ' CZ ' ' A' 2088 ' ' TYR . 11.8 tp -63.74 -47.88 79.28 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 75.03 109.292 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 25.8 m -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 75.2 110.368 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -47.18 85.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 74.35 110.324 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -61.2 -41.88 97.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 63.3 109.341 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.463 ' NE1' ' SD ' ' A' 2047 ' ' MET . 1.9 m95 -60.74 -41.04 94.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.961 -1.125 . . . . 74.13 107.961 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -50.2 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 73.43 109.278 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 4.9 mp -54.23 -54.18 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 63.21 109.328 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.566 ' O ' HG22 ' A' 2107 ' ' VAL . 11.8 m-85 -54.99 -57.75 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 63.21 111.074 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -50.04 -33.33 17.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 73.23 111.024 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -52.99 59.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 72.42 109.541 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.662 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.4 m -68.67 -45.35 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 74.23 109.271 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.093 ' CD2' HD22 ' A' 2031 ' ' LEU . 14.4 m-85 -64.51 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 54.12 111.038 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.55 ' CB ' ' O ' ' A' 2105 ' ' TYR . 5.3 ttm-85 -78.01 -34.33 50.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 72.14 110.3 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.12 -51.41 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 75.23 110.289 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.531 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 18.1 pt -44.73 -38.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 72.13 109.288 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 2112 ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.1 OUTLIER -82.94 -53.23 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 71.45 109.993 -179.922 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2113 ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER -39.93 133.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 71.1 109.28 179.936 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.31 110.246 179.981 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.369 0.128 . . . . 74.4 110.952 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.56 -6.23 10.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.622 1.201 . . . . 74.33 110.299 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.51 164.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 75.31 109.24 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 12.0 tt -41.54 145.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 72.32 109.337 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' 2019 ' ' VAL . 5.1 ttp85 -129.75 121.25 26.49 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.491 1.119 . . . . 72.42 110.284 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.79 HG13 ' HD2' ' A' 2020 ' ' PRO . 52.2 t -39.99 144.57 0.52 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 71.4 109.318 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.79 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.8 Cg_endo -75.03 -69.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.472 1.775 . . . . 70.34 111.062 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 1.5 pp -91.67 121.3 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 75.34 109.368 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' 2024 ' ' HIS . 0.0 OUTLIER -163.85 172.34 14.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 73.11 109.269 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.638 ' CG ' ' HE1' ' A' 2058 ' ' MET . 4.8 m0 -48.29 -50.7 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 72.55 108.025 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.62 ' N ' HD23 ' A' 2022 ' ' LEU . 2.0 m-70 -44.51 -25.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 70.45 109.579 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' 2022 ' ' LEU . 3.9 tp10 -70.07 -36.7 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 71.32 110.259 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.655 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.0 OUTLIER -70.56 -39.01 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 74.23 111.018 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.717 ' CH2' HD21 ' A' 2078 ' ' LEU . 41.7 m95 -65.94 -46.29 78.71 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.958 -1.127 . . . . 75.5 107.958 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -58.49 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 71.3 109.641 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.36 -42.67 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.412 1.07 . . . . 62.15 110.345 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.48 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.68 -64.47 3.88 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.43 1.081 . . . . 74.34 110.965 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2031 ' ' LEU . . . . . 0.876 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.9 mt -56.32 -32.16 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 73.42 109.278 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -53.88 40.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 65.05 110.326 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.62 -48.0 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 71.21 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -52.47 -49.13 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 71.34 109.329 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' 2031 ' ' LEU . 8.0 t -60.69 -48.21 82.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 61.52 109.97 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' 2040 ' ' GLY . 1.1 ttt-85 -50.99 -34.76 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 63.33 110.342 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.776 HD13 ' C ' ' A' 2046 ' ' GLY . 2.0 mt -71.44 -49.47 41.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 75.15 109.384 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.624 ' HD1' HG12 ' A' 2044 ' ' VAL . 85.3 t80 -54.68 -55.35 30.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 70.32 110.991 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -74.78 -31.52 61.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 62.51 110.952 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -50.14 -69.07 1.16 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.512 1.133 . . . . 63.12 110.972 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' 2042 ' ' ARG . 0.0 OUTLIER -145.18 53.89 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 0.821 . . . . 72.24 110.403 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' 2041 ' ' GLU . 10.8 mmt85 35.76 40.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.08 . . . . 72.21 110.29 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.41 ' HA ' ' HD3' ' A' 2045 ' ' LYS . 22.6 m-20 -109.29 88.59 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 60.14 109.321 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.915 HG21 HD11 ' A' 2097 ' ' LEU . 34.1 m -70.43 -16.64 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.513 1.133 . . . . 74.13 109.237 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.56 -45.23 56.92 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.525 1.141 . . . . 73.05 109.274 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.776 ' C ' HD13 ' A' 2037 ' ' LEU . . . -52.82 -54.05 30.18 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.142 . . . . 51.43 110.944 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.615 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 7.3 tmm? -52.83 -52.21 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 54.31 111.057 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.585 ' CD2' ' HE3' ' A' 2089 ' ' MET . 10.5 m-85 -51.95 -40.93 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 71.33 111.049 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 27.1 mt-10 -76.69 -15.33 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 75.51 110.333 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.569 ' C ' ' HD2' ' A' 2053 ' ' PRO . 5.9 t -87.43 -43.26 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 65.41 109.302 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.842 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -77.21 -39.58 48.14 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 65.23 109.356 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.2 OUTLIER -41.93 -55.72 5.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 75.01 110.293 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.569 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.9 -50.78 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.512 1.796 . . . . 71.42 111.05 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.615 HD22 ' CG ' ' A' 2026 ' ' MET . 13.8 mt -49.02 -55.3 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 72.4 109.301 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.451 ' O ' ' HG2' ' A' 2059 ' ' GLU . 5.5 m-70 -60.74 -53.7 54.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 73.21 109.628 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -49.63 -48.79 48.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 64.53 109.266 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.524 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -52.44 -39.99 61.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 65.25 110.985 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.638 ' HE1' ' CG ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -70.39 -28.15 64.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 72.11 111.062 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' 2055 ' ' HIS . 2.3 mm-40 -77.19 -63.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 71.13 110.37 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -74.92 -20.87 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.43 110.291 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.5 0.3 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.578 1.174 . . . . 71.24 111.013 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.513 1.796 . . . . 73.25 111.031 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.412 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.0 OUTLIER -139.91 -62.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.684 1.24 . . . . 73.52 110.264 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' 2067 ' ' GLU . 1.1 t 179.59 169.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 44.2 110.393 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -50.96 -28.61 10.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 74.25 109.425 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 12.8 tttp -70.1 -35.07 73.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 64.45 109.33 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' 2064 ' ' THR . 15.0 mm-40 -86.92 -19.43 28.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.48 1.112 . . . . 62.21 110.278 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 17.5 m -57.9 -29.62 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 64.54 110.32 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 88.3 p -74.87 -34.22 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.368 1.043 . . . . 73.23 109.963 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.555 ' HE2' HG22 ' A' 2111 ' ' ILE . 41.3 t80 -66.29 -46.35 77.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 73.34 110.912 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' 2075 ' ' GLY . 36.3 t30 -73.22 -27.86 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.31 109.361 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.78 -54.53 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.04 110.28 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.27 -42.87 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 74.01 109.305 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.624 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 16.8 m-85 -99.71 -18.92 17.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 75.22 111.0 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -40.7 -29.54 0.27 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 74.04 111.028 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2076 ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' 2074 ' ' TYR . 1.8 ttm180 -77.74 -46.25 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 75.32 110.396 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.59 ' HB2' HG11 ' A' 2107 ' ' VAL . 18.1 m-20 -62.94 -57.07 12.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.23 109.336 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.717 HD21 ' CH2' ' A' 2027 ' ' TRP . 10.0 mp -51.3 -45.55 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.641 1.213 . . . . 75.42 109.341 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 16.9 mmm -51.0 -51.15 55.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 75.01 110.994 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 25.2 tt0 -71.57 -48.76 46.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.32 110.353 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.15 -42.29 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 70.33 109.325 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.65 -40.03 95.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 73.4 110.323 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.589 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -58.16 -39.6 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 64.21 110.348 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.644 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.2 m95 -71.58 -31.46 66.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 73.41 107.999 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.468 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 9.2 t -68.6 -59.45 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 54.04 108.287 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.589 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.2 OUTLIER -62.01 -35.64 79.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 63.42 110.324 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.12 -31.57 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 74.14 109.254 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' 2088 ' ' TYR . 0.2 OUTLIER -78.73 -32.41 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 64.52 111.08 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.585 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -71.98 -33.96 68.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 73.44 110.983 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -21.44 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 74.21 109.122 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 22.9 t -112.97 -75.19 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 72.33 109.953 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 110.23 110.61 3.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.448 1.092 . . . . 73.24 110.876 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -170.26 113.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 0.707 . . . . 61.33 109.305 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2094 ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' 2095 ' ' LYS . 1.4 p -53.63 -44.28 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 65.12 109.352 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2095 ' ' LYS . . . . . 0.409 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.0 OUTLIER -49.1 -47.06 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 62.2 109.299 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2096 ' ' ASP . . . . . 0.539 ' OD2' ' C ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -64.01 -40.16 95.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 71.55 109.293 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.915 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -57.72 -47.28 82.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 75.23 109.294 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.9 m -59.89 -43.79 94.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.64 1.213 . . . . 61.41 110.372 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -49.3 78.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 73.03 110.385 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -58.9 -50.12 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 70.13 109.34 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.642 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.2 OUTLIER -58.2 -32.01 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.114 . . . . 74.22 107.991 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.18 -51.68 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 60.21 109.323 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.58 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.4 mp -54.06 -52.86 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.354 1.034 . . . . 75.54 109.302 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.519 ' O ' HG22 ' A' 2107 ' ' VAL . 10.3 m-85 -54.89 -56.37 20.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 73.35 111.041 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.566 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.56 -35.63 9.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 75.24 111.038 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -54.68 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 74.22 109.602 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.688 HG21 HD11 ' A' 2078 ' ' LEU . 1.4 m -67.98 -48.43 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.188 . . . . 73.12 109.348 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.876 ' CG ' HD11 ' A' 2031 ' ' LEU . 19.4 m-85 -60.75 -29.34 69.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 71.31 111.059 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.566 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.7 ttm180 -74.23 -38.67 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 72.02 110.362 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -63.78 -51.38 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 61.14 110.293 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.555 HG22 ' HE2' ' A' 2070 ' ' PHE . 23.5 pt -48.0 -31.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 54.14 109.324 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2112 ' ' SER . . . . . 0.444 ' C ' ' N ' ' A' 2114 ' ' GLN . 29.9 t -88.28 -59.48 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 53.12 109.965 -179.908 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.43 -29.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.176 . . . . 62.5 109.279 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 2114 ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' 2112 ' ' SER . 2.7 tp60 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.558 1.161 . . . . 62.23 110.219 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.678 0.275 . . . . 73.13 111.002 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.65 -3.64 10.32 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.347 1.029 . . . . 61.31 110.331 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 139.13 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 75.04 109.408 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.752 HG22 ' N ' ' A' 2018 ' ' ARG . 1.3 mt 65.9 -84.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 74.22 109.337 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.752 ' N ' HG22 ' A' 2017 ' ' ILE . 0.1 OUTLIER -47.19 103.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 73.51 110.328 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.571 HG11 HD12 ' A' 2022 ' ' LEU . 2.5 p -40.61 128.45 1.85 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.583 1.177 . . . . 74.05 109.284 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.445 ' HA ' ' HG2' ' A' 2025 ' ' GLU . 18.7 Cg_endo -74.87 -36.96 2.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.767 . . . . 74.23 111.076 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 6.8 mm -86.77 80.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.187 . . . . 64.3 109.429 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.67 HD22 ' CE1' ' A' 2024 ' ' HIS . 0.5 OUTLIER 179.31 147.52 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 73.32 109.272 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.64 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.4 m0 -53.51 -44.69 69.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 71.2 108.034 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2024 ' ' HIS . . . . . 0.67 ' CE1' HD22 ' A' 2022 ' ' LEU . 4.7 m80 -48.2 -23.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 63.52 109.593 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.445 ' HG2' ' HA ' ' A' 2020 ' ' PRO . 22.4 tp10 -68.42 -34.26 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 52.21 110.289 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.746 ' CG ' HD22 ' A' 2054 ' ' LEU . 0.4 OUTLIER -78.36 -33.67 48.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 75.54 110.954 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.934 ' CH2' HD11 ' A' 2078 ' ' LEU . 6.1 m95 -74.83 -37.03 62.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 75.23 107.981 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2028 ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.8 OUTLIER -68.22 -58.92 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 74.21 109.613 179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.45 ' N ' ' CD2' ' A' 2028 ' ' HIS . 8.1 pt-20 -68.79 -30.12 68.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 70.34 110.378 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.33 -64.55 4.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 71.52 110.899 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2031 ' ' LEU . . . . . 0.997 HD22 ' CH2' ' A' 2101 ' ' TRP . 5.4 mt -61.59 -32.04 72.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 75.31 109.311 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' 2036 ' ' ARG . 0.0 OUTLIER -53.68 -49.41 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.363 1.04 . . . . 73.03 110.367 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' 2033 ' ' GLU . 0.0 OUTLIER -78.67 -44.6 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.628 1.205 . . . . 74.35 110.373 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.494 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -58.13 -43.27 87.15 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.473 1.108 . . . . 60.13 109.383 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' 2031 ' ' LEU . 59.5 p -77.14 -46.72 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 71.15 110.113 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' 2032 ' ' GLU . 1.3 tmt_? -51.97 -45.87 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 73.4 110.27 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.592 HD21 ' C ' ' A' 2046 ' ' GLY . 1.6 pp -71.5 -44.8 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' 2034 ' ' ALA . 38.9 t80 -53.23 -53.31 52.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 71.52 110.938 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2039 ' ' PHE . . . . . 0.401 ' CD1' ' HD2' ' A' 2038 ' ' TYR . 12.4 m-85 -71.03 -33.62 70.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.482 1.114 . . . . 74.32 110.948 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -71.64 -30.91 65.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.573 1.171 . . . . 72.31 111.011 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' 2037 ' ' LEU . 0.7 OUTLIER -153.52 141.72 20.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 0.79 . . . . 65.14 110.313 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.85 58.35 0.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 73.15 110.299 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.0 m120 -121.76 82.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 75.11 109.291 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.866 HG12 ' CE2' ' A' 2048 ' ' PHE . 40.9 t -62.2 -13.17 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 51.11 109.327 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -39.17 74.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.41 109.336 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.592 ' C ' HD21 ' A' 2037 ' ' LEU . . . -56.06 -56.82 22.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 62.21 111.059 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.68 ' CE ' HG13 ' A' 2044 ' ' VAL . 0.1 OUTLIER -59.52 -41.58 90.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 63.23 110.98 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.866 ' CE2' HG12 ' A' 2044 ' ' VAL . 3.0 m-30 -61.77 -41.65 97.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 74.22 111.04 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.566 ' O ' ' CD ' ' A' 2053 ' ' PRO . 6.7 pt-20 -74.08 -13.47 60.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 73.42 110.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.617 HG12 HD23 ' A' 2051 ' ' LEU . 9.3 t -83.12 -46.98 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 72.22 109.213 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.76 -42.73 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 74.34 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -36.06 -53.86 1.5 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 73.4 110.273 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.96 -51.81 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.436 1.756 . . . . 70.45 111.031 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.746 HD22 ' CG ' ' A' 2026 ' ' MET . 20.3 mt -47.76 -54.6 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 41.45 109.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2055 ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -62.01 -46.94 87.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 75.23 109.563 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -54.96 -48.67 72.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.34 109.329 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2057 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -38.38 58.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 61.33 110.994 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.64 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -65.12 -45.86 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 73.34 111.005 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.82 -62.4 1.83 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 61.25 110.264 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -33.85 76.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.372 1.045 . . . . 64.22 110.289 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -124.73 89.34 0.39 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.409 1.068 . . . . 61.55 111.029 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.448 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -74.98 -94.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 74.24 110.94 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.51 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER 177.32 -82.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 73.14 110.313 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.51 HG23 ' O ' ' A' 2063 ' ' GLN . 0.9 OUTLIER -154.28 -169.06 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 63.22 110.406 -179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.2 OUTLIER -69.71 -27.18 64.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 64.41 109.296 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 17.2 tttt -77.83 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 60.25 109.305 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 3.1 tp10 -54.08 -19.94 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 64.14 110.252 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' 2065 ' ' LEU . 0.8 OUTLIER -54.52 -26.63 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 71.11 110.382 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -40.06 64.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 71.12 110.041 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 38.5 t80 -63.51 -50.75 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.14 110.974 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.555 ' O ' ' CA ' ' A' 2075 ' ' GLY . 42.1 t-20 -64.6 -28.79 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 73.32 109.312 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -78.35 -51.13 10.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 73.04 110.273 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.5 -51.8 4.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.643 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 24.8 m-85 -96.03 -12.56 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 71.15 111.023 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.555 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.3 -49.06 3.72 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.482 1.114 . . . . 63.11 110.967 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -46.33 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 73.14 110.204 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -50.28 -59.38 4.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 71.45 109.346 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.934 HD11 ' CH2' ' A' 2027 ' ' TRP . 66.0 mt -54.2 -36.41 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 64.04 109.276 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.36 95.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 74.24 110.977 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.1 tt0 -63.5 -56.22 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 63.12 110.297 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.463 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -52.72 -43.58 65.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 73.01 109.249 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.41 -42.31 86.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 75.02 110.334 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.39 79.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 63.24 110.208 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.801 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.5 m95 -69.01 -32.61 72.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.24 108.041 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 55.8 m -60.13 -57.72 11.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 54.02 108.328 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -57.98 -37.58 74.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 44.45 110.337 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -62.76 -33.89 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.4 109.275 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.86 ' CE2' HD12 ' A' 2097 ' ' LEU . 3.0 t80 -78.26 -47.07 18.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 73.4 110.911 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.7 mtt -58.21 -31.29 67.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 75.13 110.95 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.09 -56.12 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 75.42 109.347 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.7 t -71.53 -64.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 75.01 109.968 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.67 90.26 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 52.42 110.962 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.41 124.5 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.53 109.316 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.7 p -63.9 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 71.42 109.289 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.25 -52.0 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 74.22 109.358 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2096 ' ' ASP . . . . . 0.459 ' CB ' ' HE2' ' A' 2087 ' ' LYS . 0.0 OUTLIER -67.36 -36.03 80.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 74.22 109.293 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.86 HD12 ' CE2' ' A' 2088 ' ' TYR . 2.1 tt -62.06 -45.73 92.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 72.22 109.35 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -60.51 -47.1 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.05 110.41 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -50.22 66.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 72.22 110.326 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.801 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.61 -46.32 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 52.54 109.262 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.997 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.62 -35.19 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 73.25 108.101 179.921 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -49.13 77.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 61.25 109.246 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.6 mp -58.62 -53.27 60.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 73.32 109.362 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.595 ' O ' HG22 ' A' 2107 ' ' VAL . 9.8 m-85 -54.83 -57.92 9.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 64.41 111.014 179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' 2109 ' ' ARG . 0.6 OUTLIER -49.27 -35.51 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 75.22 110.926 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2106 ' ' HIS . . . . . 0.499 ' O ' ' HG3' ' A' 2109 ' ' ARG . 0.2 OUTLIER -63.02 -48.07 80.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.204 . . . . 72.02 109.569 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.643 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.7 m -76.73 -36.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.517 1.135 . . . . 73.1 109.28 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.75 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 6.6 m-85 -70.03 -32.3 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 1.057 . . . . 72.11 110.92 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -82.45 -25.7 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 63.22 110.304 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2110 ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -72.95 -52.24 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 74.24 110.291 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 4.3 pt -42.47 -28.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 70.3 109.336 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2112 ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' 2110 ' ' ARG . 10.5 m -87.57 -53.97 4.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 20.32 109.968 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.28 161.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 62.31 109.312 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.38 1.05 . . . . 74.41 110.385 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.426 0.155 . . . . 74.23 110.916 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2015 ' ' GLU . . . . . 0.619 ' O ' HD12 ' A' 2016 ' ' LEU . 2.3 mm-40 -91.87 -33.91 14.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 72.34 110.287 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' 2015 ' ' GLU . 0.1 OUTLIER 169.85 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 74.32 109.351 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -46.13 -52.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 54.23 109.234 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2018 ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' 2019 ' ' VAL . 0.2 OUTLIER -163.83 -176.71 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 72.04 110.324 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' 2022 ' ' LEU . 0.6 OUTLIER -111.87 126.65 28.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 62.11 109.342 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.477 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.0 Cg_endo -75.11 -22.35 14.72 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.5 1.79 . . . . 72.53 110.919 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.477 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -111.62 78.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 74.42 109.401 179.888 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.509 ' HB2' HG22 ' A' 2019 ' ' VAL . 0.1 OUTLIER -168.97 -168.47 0.86 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.556 1.16 . . . . 73.25 109.306 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.659 ' CE2' ' NE2' ' A' 2063 ' ' GLN . 7.4 m0 -61.18 -49.24 77.99 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.978 -1.119 . . . . 73.45 107.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.8 m170 -46.28 -24.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 73.55 109.577 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' 2020 ' ' PRO . 25.9 tp10 -68.74 -39.24 80.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.41 110.252 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.834 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.64 -31.31 63.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.329 1.018 . . . . 72.11 110.997 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.682 ' CH2' HD21 ' A' 2078 ' ' LEU . 56.9 m95 -67.68 -48.52 66.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 74.22 107.971 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -66.61 -43.86 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 53.32 109.518 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.8 tt0 -64.86 -46.85 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 51.32 110.289 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.512 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -53.11 -58.51 11.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 42.24 111.004 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2031 ' ' LEU . . . . . 0.882 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.6 mt -61.57 -32.28 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 0.732 . . . . 75.52 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -53.2 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 62.23 110.277 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -79.28 -50.34 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.21 110.219 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.568 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.16 -49.39 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 73.32 109.239 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' 2031 ' ' LEU . 14.5 p -70.4 -36.81 74.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 44.32 110.092 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -54.54 -52.66 61.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 72.34 110.34 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.548 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.6 pp -71.97 -41.13 68.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 72.51 109.268 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' 2047 ' ' MET . 34.3 t80 -59.34 -56.2 25.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.02 111.042 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2039 ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' 2035 ' ' SER . 11.9 m-85 -68.8 -46.41 68.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.383 1.052 . . . . 74.43 110.926 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.633 ' O ' ' CB ' ' A' 2041 ' ' GLU . . . -66.79 -65.63 2.72 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.11 . . . . 52.45 110.947 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.633 ' CB ' ' O ' ' A' 2040 ' ' GLY . 15.8 tt0 149.25 133.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 75.31 110.382 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER 173.36 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 74.41 110.241 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.8 m-20 152.61 164.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 74.51 109.261 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.558 HG21 ' OH ' ' A' 2088 ' ' TYR . 4.5 m -83.63 -11.23 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 61.31 109.314 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -36.79 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 74.02 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.905 ' O ' HG23 ' A' 2050 ' ' VAL . . . -59.77 -56.15 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.546 1.154 . . . . 55.54 110.962 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' 2038 ' ' TYR . 0.5 OUTLIER -63.08 -38.8 92.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 0.732 . . . . 75.1 111.064 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.5 m-85 -69.94 -40.74 75.32 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.463 1.102 . . . . 61.13 111.042 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.586 ' O ' ' CD ' ' A' 2053 ' ' PRO . 16.8 pt-20 -74.89 -13.26 60.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 74.41 110.306 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' 2046 ' ' GLY . 24.3 t -83.46 -45.68 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 60.13 109.254 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.633 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -77.11 -44.61 29.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 74.54 109.316 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 3.1 mt-10 -35.33 -55.61 1.06 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 55.41 110.3 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.586 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -75.04 -49.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 53.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.834 HD22 ' SD ' ' A' 2026 ' ' MET . 15.9 mt -48.85 -56.66 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 72.11 109.285 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 41.3 m170 -60.15 -51.86 67.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 74.25 109.594 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.96 -48.56 60.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 54.34 109.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.526 ' HE2' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.37 -39.38 57.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 71.24 110.932 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.622 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.5 mmt -66.89 -34.11 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 61.32 111.055 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' 2055 ' ' HIS . 1.5 mm-40 -74.4 -63.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 72.33 110.288 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' 2056 ' ' ALA . 48.5 ptt85 -70.27 -18.21 63.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 74.21 110.289 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.43 77.29 0.29 Allowed Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.434 1.084 . . . . 65.02 111.091 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.05 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.768 . . . . 72.51 110.968 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.659 ' NE2' ' CE2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -149.77 -77.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 63.51 110.372 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.548 HG23 ' O ' ' A' 2063 ' ' GLN . 3.2 p -156.16 -166.0 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 75.25 110.396 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -64.24 -26.95 68.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 75.42 109.186 -179.932 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -60.55 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 75.31 109.285 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' 2063 ' ' GLN . 0.5 OUTLIER -57.49 -30.68 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 74.42 110.198 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' 2072 ' ' GLN . 1.0 OUTLIER -54.34 -38.5 66.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.199 . . . . 71.42 110.427 -179.894 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -31.8 62.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 72.23 110.047 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.591 ' HE1' HG22 ' A' 2111 ' ' ILE . 74.9 t80 -69.13 -52.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 74.2 111.005 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.548 ' O ' ' CA ' ' A' 2075 ' ' GLY . 11.0 t30 -64.34 -29.69 70.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 75.31 109.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2072 ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' 2068 ' ' THR . 17.7 mm-40 -79.66 -51.17 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 71.35 110.28 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.24 -50.58 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.182 . . . . 32.14 109.312 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.629 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.3 m-85 -97.84 -14.66 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 74.51 110.963 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.548 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -43.13 -28.72 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.601 1.188 . . . . 74.34 110.953 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2076 ' ' ARG . . . . . 0.432 ' CG ' ' N ' ' A' 2077 ' ' ASP . 3.7 ptm85 -78.8 -45.48 20.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 0.804 . . . . 73.42 110.204 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.445 ' HB2' HG11 ' A' 2107 ' ' VAL . 13.4 m-20 -64.03 -56.39 15.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.388 1.055 . . . . 62.13 109.367 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.682 HD21 ' CH2' ' A' 2027 ' ' TRP . 10.3 mp -51.12 -44.82 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 74.52 109.32 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 34.9 mmm -53.45 -50.53 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 71.41 110.989 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2080 ' ' GLU . . . . . 0.507 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 24.7 tt0 -71.1 -46.95 60.78 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.451 1.094 . . . . 72.13 110.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.64 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.7 -44.2 69.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 73.02 109.334 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -38.41 91.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 73.33 110.251 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2083 ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -60.66 -36.9 79.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 74.33 110.38 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.7 m95 -76.0 -25.32 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 71.02 107.999 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.4 t -71.11 -59.11 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 70.12 108.405 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2086 ' ' ARG . . . . . 0.487 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 4.9 ptt180 -65.4 -28.81 69.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 73.43 110.313 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -69.03 -38.23 79.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 75.2 109.306 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.597 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.1 OUTLIER -75.29 -38.07 60.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.583 1.177 . . . . 75.44 111.064 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2089 ' ' MET . . . . . 0.457 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 3.3 mtt -66.72 -34.22 77.36 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.583 1.177 . . . . 63.31 110.999 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -36.41 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 72.31 109.294 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.9 t -90.5 -71.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 43.32 109.961 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 108.98 99.15 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 42.52 110.938 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -168.67 115.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 61.44 109.26 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -54.72 -39.96 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 62.32 109.35 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -52.41 -48.06 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 65.41 109.262 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2096 ' ' ASP . . . . . 0.418 ' OD2' ' CE ' ' A' 2087 ' ' LYS . 10.4 m-20 -67.69 -34.17 76.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 63.23 109.257 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.597 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 37.7 tp -64.71 -50.01 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 61.13 109.314 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.9 m -59.8 -47.35 86.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 73.42 110.362 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -51.95 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 74.12 110.31 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -53.69 -50.39 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 73.52 109.291 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.648 ' CZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -58.66 -33.78 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 75.1 107.967 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -50.28 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 74.32 109.304 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.64 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.8 mp -55.8 -53.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.15 109.273 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2104 ' ' TYR . . . . . 0.483 ' O ' HG22 ' A' 2107 ' ' VAL . 15.1 m-85 -57.95 -55.94 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 74.12 111.046 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.548 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.14 -30.61 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.23 110.972 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -69.22 -54.8 12.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 73.5 109.691 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.678 HG21 HD11 ' A' 2078 ' ' LEU . 1.3 m -64.97 -47.46 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.01 109.291 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.882 ' CG ' HD11 ' A' 2031 ' ' LEU . 18.7 m-85 -62.95 -29.37 70.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 70.44 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' 2105 ' ' TYR . 32.0 ttm180 -74.82 -31.74 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.31 110.303 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -71.75 -51.47 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 74.42 110.35 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.591 HG22 ' HE1' ' A' 2070 ' ' PHE . 18.8 pt -45.26 -31.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 71.43 109.331 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -46.08 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 70.42 109.937 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.12 136.42 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 75.53 109.381 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 73.2 110.266 179.963 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A 2014 ' ' MET . . . . . 0.441 ' HG3' HD12 ' A' 2016 ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.575 0.226 . . . . 63.14 111.027 . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -17.28 13.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 75.42 110.294 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' 2014 ' ' MET . 0.1 OUTLIER 62.19 143.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 61.02 109.314 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 4.6 tt -58.96 176.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 43.34 109.259 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -147.28 127.73 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 75.1 110.313 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.673 HG21 HD13 ' A' 2022 ' ' LEU . 2.3 p -40.22 139.19 1.06 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 71.23 109.253 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.578 ' HD2' HG23 ' A' 2019 ' ' VAL . 18.3 Cg_endo -75.0 -39.87 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.424 1.75 . . . . 74.03 111.024 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.475 ' O ' HD12 ' A' 2021 ' ' ILE . 1.7 pp -112.63 95.1 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.545 1.153 . . . . 54.21 109.262 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.673 HD13 HG21 ' A' 2019 ' ' VAL . 0.2 OUTLIER -169.96 -178.56 2.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 52.42 109.315 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.614 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.1 m0 -76.39 -50.15 14.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.019 -1.104 . . . . 74.52 108.019 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.3 m170 -47.89 -22.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 61.5 109.643 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' 2023 ' ' TRP . 53.1 tp10 -73.15 -36.22 66.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 73.13 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.6 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -71.97 -32.7 67.5 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.512 1.133 . . . . 73.4 110.99 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.694 ' CZ3' HG11 ' A' 2107 ' ' VAL . 82.5 m95 -71.95 -51.86 19.99 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.545 1.153 . . . . 62.43 108.046 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2028 ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' 2032 ' ' GLU . 0.2 OUTLIER -52.56 -60.08 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 64.21 109.648 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' 2032 ' ' GLU . 10.3 pt-20 -67.93 -31.17 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 75.21 110.275 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' 2026 ' ' MET . . . -58.5 -66.55 2.73 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 45.53 111.029 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2031 ' ' LEU . . . . . 0.997 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.3 mt -61.22 -30.14 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 60.51 109.317 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2032 ' ' GLU . . . . . 0.5 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.64 -49.53 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.185 . . . . 51.33 110.357 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.5 ' N ' ' HG2' ' A' 2032 ' ' GLU . 3.2 tt0 -72.34 -49.98 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 75.02 110.351 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.753 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.84 -48.17 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 62.22 109.18 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 8.6 t -57.31 -48.19 79.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 64.35 110.059 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -53.1 -37.96 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 72.22 110.33 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' 2034 ' ' ALA . 1.8 mt -70.86 -36.67 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 72.1 109.281 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.421 ' O ' ' O ' ' A' 2041 ' ' GLU . 49.9 t80 -74.91 -55.24 5.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 72.24 110.99 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -73.42 -46.76 46.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 74.21 111.09 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -65.89 -55.65 18.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 74.31 111.023 179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.424 ' HG2' ' CZ ' ' A' 2042 ' ' ARG . 0.7 OUTLIER -115.62 -154.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.776 . . . . 62.51 110.312 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.462 ' N ' ' HD3' ' A' 2042 ' ' ARG . 0.0 OUTLIER -132.96 6.37 3.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.433 1.083 . . . . 72.51 110.282 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -73.38 85.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 73.14 109.396 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.691 HG12 ' CD2' ' A' 2048 ' ' PHE . 12.5 t -61.78 -12.69 7.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.407 1.067 . . . . 74.44 109.293 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.19 -40.94 67.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 62.02 109.324 -179.933 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.428 ' C ' HD13 ' A' 2037 ' ' LEU . . . -54.72 -57.39 17.99 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.541 1.151 . . . . 55.35 110.985 179.919 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.536 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 0.2 OUTLIER -56.83 -49.35 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 73.41 111.024 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.691 ' CD2' HG12 ' A' 2044 ' ' VAL . 2.0 m-85 -61.64 -34.94 76.56 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 74.51 111.065 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.515 ' O ' ' CD ' ' A' 2053 ' ' PRO . 4.6 mm-40 -76.89 -14.53 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 71.2 110.282 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.993 ' O ' HD22 ' A' 2054 ' ' LEU . 2.9 t -85.54 -42.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 65.05 109.358 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -78.03 -43.86 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 72.2 109.293 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.482 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -37.12 -52.96 2.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 74.05 110.387 179.913 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.604 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.97 -51.1 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.323 1.696 . . . . 63.51 110.939 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.04 -55.83 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 54.52 109.367 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.414 ' CE1' ' HG ' ' A' 2078 ' ' LEU . 12.4 m-70 -62.07 -48.44 80.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.12 109.597 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.84 -50.73 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 65.53 109.27 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.41 -37.62 49.36 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.43 1.081 . . . . 53.41 111.055 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.614 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.7 OUTLIER -66.56 -40.65 89.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 75.1 111.022 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.94 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 62.21 110.421 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -65.65 -39.19 91.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 72.43 110.31 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.58 81.75 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 55.02 111.068 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.489 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.1 Cg_endo -74.98 -94.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 62.33 110.984 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.37 -82.87 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.368 1.042 . . . . 72.53 110.241 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2064 ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' 2068 ' ' THR . 7.5 t -155.27 167.14 31.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.5 110.459 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -27.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 63.43 109.281 -179.885 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2066 ' ' LYS . . . . . 0.454 ' H ' HG23 ' A' 2064 ' ' THR . 10.3 tttt -74.13 -41.52 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 75.04 109.352 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' 2064 ' ' THR . 3.0 tp10 -81.96 -19.59 40.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 64.43 110.229 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2068 ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' 2064 ' ' THR . 6.1 m -56.71 -27.36 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 63.34 110.384 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.0 t -68.71 -52.16 33.79 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 75.33 109.954 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' 2070 ' ' PHE . 5.9 t80 -63.94 -53.81 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.34 111.017 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' 2075 ' ' GLY . 13.2 t-20 -50.31 -35.18 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 65.53 109.339 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.29 -55.2 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.01 110.326 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.29 -41.81 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 52.42 109.288 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.749 ' HD2' HG13 ' A' 2107 ' ' VAL . 5.2 m-85 -93.98 -32.86 13.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 63.34 111.056 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -45.46 -25.87 1.44 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 75.34 110.959 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -80.97 -35.42 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 64.54 110.333 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.9 m-20 -67.03 -60.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 73.13 109.257 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.655 ' N ' HD13 ' A' 2078 ' ' LEU . 0.1 OUTLIER -52.27 -45.54 65.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 73.34 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.5 mtp -51.66 -50.53 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.553 1.158 . . . . 70.3 111.013 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.91 -56.73 14.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 74.11 110.358 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.862 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -54.31 -40.71 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.33 109.271 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 64.3 110.266 -179.855 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.58 76.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 72.1 110.298 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.52 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 78.4 m95 -66.81 -35.08 79.23 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.521 1.138 . . . . 65.31 108.017 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.617 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 22.4 t -65.16 -52.23 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 71.53 108.304 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -40.19 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 74.02 110.352 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.52 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.1 OUTLIER -67.33 -32.28 73.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 75.11 109.297 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 4.3 t80 -78.95 -47.9 15.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.388 1.055 . . . . 71.33 111.051 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 6.1 mmm -58.01 -34.87 70.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 75.4 110.999 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -56.13 3.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 63.21 109.269 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.3 t -72.52 -67.09 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 73.24 110.012 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 99.58 88.13 1.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.586 1.179 . . . . 73.53 111.053 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.41 125.35 11.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.574 0.808 . . . . 73.21 109.234 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 p -60.41 -42.83 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 72.54 109.339 179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.64 -47.13 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 72.21 109.217 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2096 ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' 2096 ' ' ASP . 1.7 t0 -66.62 -40.97 89.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 63.41 109.381 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' 2097 ' ' LEU . 1.7 tp -62.17 -45.61 92.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 70.21 109.303 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.7 m -58.25 -48.35 80.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 44.31 110.38 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -46.1 77.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.623 1.202 . . . . 72.02 110.334 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -56.83 -42.86 80.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.43 109.28 -179.915 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.997 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -66.89 -29.48 69.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 72.22 108.026 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -50.74 70.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 73.53 109.189 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.862 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 2.3 mt -59.38 -52.65 64.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 74.12 109.331 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -56.74 -51.67 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 71.4 110.939 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -47.35 -45.62 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.02 111.007 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.17 99.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 65.51 109.642 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' 2074 ' ' TYR . 2.2 t -62.62 -58.26 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.067 . . . . 63.11 109.28 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2108 ' ' PHE . . . . . 0.854 ' CG ' HD12 ' A' 2031 ' ' LEU . 52.3 m-85 -63.97 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 73.01 111.005 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -77.06 -43.56 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 72.45 110.3 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -52.18 66.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 71.3 110.308 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.563 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 23.6 pt -44.02 -31.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 72.54 109.311 179.921 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 35.6 m -83.47 -50.06 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 64.52 110.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 120.94 4.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.31 109.269 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 73.52 110.283 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 2.2 mtm . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.563 0.22 . . . . 71.33 111.0 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.28 -3.19 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 73.1 110.384 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2016 ' ' LEU . . . . . 0.499 ' HB3' HD12 ' A' 2017 ' ' ILE . 1.6 mp -88.84 165.37 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.631 1.207 . . . . 71.41 109.308 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2017 ' ' ILE . . . . . 0.829 HG21 ' HB3' ' A' 2066 ' ' LYS . 3.8 mp 62.01 138.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 64.41 109.313 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.59 169.97 19.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 75.42 110.259 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2019 ' ' VAL . . . . . 0.783 HG21 ' N ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -52.05 139.28 34.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 64.23 109.241 -179.954 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2020 ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' 2019 ' ' VAL . 18.3 Cg_endo -74.98 -41.9 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.769 . . . . 74.42 111.016 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2021 ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' 2022 ' ' LEU . 23.6 mm -94.05 -82.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.596 1.185 . . . . 61.35 109.35 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2022 ' ' LEU . . . . . 0.711 HD22 ' HB2' ' A' 2025 ' ' GLU . 0.5 OUTLIER 176.87 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.642 1.214 . . . . 64.31 109.251 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2023 ' ' TRP . . . . . 0.783 ' N ' HG21 ' A' 2019 ' ' VAL . 18.9 m0 -79.74 -46.47 16.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 72.2 108.016 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -48.51 -23.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.31 109.554 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2025 ' ' GLU . . . . . 0.711 ' HB2' HD22 ' A' 2022 ' ' LEU . 5.6 tp10 -65.62 -33.23 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 64.03 110.242 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2026 ' ' MET . . . . . 0.791 ' HB2' HD22 ' A' 2054 ' ' LEU . 0.4 OUTLIER -78.83 -35.91 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 70.31 110.855 -179.833 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2027 ' ' TRP . . . . . 0.567 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 64.0 m95 -67.64 -39.79 84.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 75.12 107.944 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -59.33 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.088 . . . . 75.02 109.594 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2029 ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -62.76 -36.4 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 64.33 110.338 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2030 ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.14 -64.66 3.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 65.41 111.019 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2031 ' ' LEU . . . . . 1.095 HD22 ' CD2' ' A' 2108 ' ' PHE . 2.4 tp -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 74.54 109.344 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -55.58 -52.32 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 74.32 110.213 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2033 ' ' GLU . . . . . 0.403 ' HA ' ' HB2' ' A' 2036 ' ' ARG . 0.0 OUTLIER -73.27 -52.11 15.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 75.43 110.259 -179.88 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2034 ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.97 -50.74 65.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 24.31 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2035 ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.2 p -67.35 -32.18 72.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 62.21 110.045 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2036 ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' 2033 ' ' GLU . 0.5 OUTLIER -60.59 -52.62 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 75.02 110.316 -179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2037 ' ' LEU . . . . . 0.573 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.3 pp -72.26 -40.72 67.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 71.04 109.341 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2038 ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' 2101 ' ' TRP . 38.9 t80 -57.34 -55.39 35.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 72.33 111.088 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2039 ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' 2035 ' ' SER . 12.7 m-85 -71.51 -43.52 66.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.133 . . . . 72.21 110.905 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2040 ' ' GLY . . . . . 0.606 ' O ' ' CB ' ' A' 2041 ' ' GLU . . . -68.27 -69.55 1.35 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 73.25 110.983 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2041 ' ' GLU . . . . . 0.606 ' CB ' ' O ' ' A' 2040 ' ' GLY . 13.4 tt0 150.97 133.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 72.11 110.333 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2042 ' ' ARG . . . . . 0.538 ' O ' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER 173.58 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 72.11 110.225 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2043 ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.0 m-20 153.73 170.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.559 1.162 . . . . 63.23 109.191 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2044 ' ' VAL . . . . . 0.534 ' CG1' ' CE1' ' A' 2048 ' ' PHE . 3.1 t -83.1 -28.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 60.52 109.332 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2045 ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -55.5 -34.27 64.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 42.14 109.315 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.764 ' O ' HG23 ' A' 2050 ' ' VAL . . . -50.32 -52.32 28.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.579 1.174 . . . . 74.13 111.072 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2047 ' ' MET . . . . . 0.556 ' O ' ' HG ' ' A' 2051 ' ' LEU . 26.2 ttp -67.75 -54.99 14.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 52.24 111.043 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2048 ' ' PHE . . . . . 0.534 ' CE1' ' CG1' ' A' 2044 ' ' VAL . 22.4 m-85 -52.66 -49.52 65.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 74.33 111.01 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2049 ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -67.02 -17.61 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.14 110.38 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2050 ' ' VAL . . . . . 0.781 HG12 HD23 ' A' 2051 ' ' LEU . 2.9 t -84.79 -44.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 72.21 109.321 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.807 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -78.19 -42.1 32.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 73.42 109.26 -179.903 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2052 ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.9 OUTLIER -37.24 -54.24 2.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 71.23 110.328 179.917 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.398 1.736 . . . . 75.52 110.996 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.791 HD22 ' HB2' ' A' 2026 ' ' MET . 36.8 mt -49.0 -56.42 9.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 74.33 109.341 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2055 ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' 2051 ' ' LEU . 34.3 m170 -59.74 -50.68 72.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 75.02 109.638 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2056 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.43 -50.66 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 52.11 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2057 ' ' MET . . . . . 0.478 ' HE2' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -50.42 -39.19 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 74.53 110.938 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2058 ' ' MET . . . . . 0.758 ' HE3' ' SD ' ' A' 2026 ' ' MET . 0.1 OUTLIER -66.93 -35.32 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.14 111.044 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2059 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.2 mm-40 -74.16 -63.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.11 110.308 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2060 ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.4 ptt85 -72.38 -8.84 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 65.12 110.213 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2061 ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -129.62 62.75 0.64 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.167 . . . . 70.52 110.954 -179.889 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2062 ' ' PRO . . . . . 0.438 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.96 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 74.13 111.012 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2063 ' ' GLN . . . . . 0.482 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -132.96 -68.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 63.14 110.262 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.38 164.65 4.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 61.34 110.319 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2065 ' ' LEU . . . . . 0.606 ' O ' HD13 ' A' 2065 ' ' LEU . 0.3 OUTLIER -49.55 -27.98 5.05 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 73.44 109.332 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2066 ' ' LYS . . . . . 0.829 ' HB3' HG21 ' A' 2017 ' ' ILE . 0.1 OUTLIER -70.96 -42.81 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.628 1.205 . . . . 70.34 109.278 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2067 ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 18.9 tp10 -75.65 -22.12 57.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 64.43 110.373 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 20.2 m -54.47 -27.11 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 74.53 110.372 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.4 m -53.98 -43.71 70.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 72.35 109.983 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2070 ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' 2071 ' ' ASN . 0.7 OUTLIER -69.81 -53.83 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.33 111.038 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2071 ' ' ASN . . . . . 0.515 ' N ' ' CD1' ' A' 2070 ' ' PHE . 60.8 t-20 -48.63 -36.22 15.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 25.13 109.263 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -78.74 -45.35 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 72.01 110.273 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -44.37 -34.75 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 50.3 109.271 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2074 ' ' TYR . . . . . 0.951 ' OH ' HG23 ' A' 2111 ' ' ILE . 71.0 m-85 -108.55 -27.45 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 71.22 110.961 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -41.71 -26.53 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.575 1.172 . . . . 50.3 110.987 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2076 ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.3 OUTLIER -80.57 -46.6 15.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 64.21 110.314 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2077 ' ' ASP . . . . . 0.469 ' HB2' ' CG2' ' A' 2107 ' ' VAL . 9.3 m-20 -66.13 -50.68 63.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 42.04 109.379 179.893 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2078 ' ' LEU . . . . . 0.763 HD13 ' HB3' ' A' 2074 ' ' TYR . 11.1 mp -54.54 -40.76 68.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 74.23 109.238 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2079 ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.1 OUTLIER -58.38 -49.48 77.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 64.45 111.06 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.22 -48.99 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 70.42 110.359 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2081 ' ' ALA . . . . . 0.599 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -58.14 -43.92 87.54 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.55 1.156 . . . . 63.33 109.196 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2082 ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -64.53 -32.2 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 74.14 110.355 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -35.29 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.317 1.011 . . . . 74.23 110.277 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2084 ' ' TRP . . . . . 0.729 ' CB ' ' HB2' ' A' 2100 ' ' ALA . 89.1 m95 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.876 -1.157 . . . . 72.5 107.876 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2085 ' ' CYS . . . . . 0.424 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 0.9 OUTLIER -68.61 -51.59 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.344 1.027 . . . . 74.33 108.272 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -46.89 87.17 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.52 1.137 . . . . 72.34 110.306 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2087 ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -57.71 -39.11 76.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 63.42 109.22 -179.917 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2088 ' ' TYR . . . . . 0.815 ' CZ ' HD12 ' A' 2097 ' ' LEU . 1.5 t80 -71.15 -40.22 71.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.15 110.995 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -39.05 83.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 63.15 110.989 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.93 -53.8 4.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.4 109.241 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2091 ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.4 t -65.33 -67.21 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 72.24 109.98 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2092 ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 98.16 90.96 1.95 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.449 1.093 . . . . 75.42 110.918 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.53 108.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 0.836 . . . . 72.14 109.312 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 5.9 t -45.94 -41.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 72.13 109.277 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -49.67 -42.21 44.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.631 1.207 . . . . 73.44 109.253 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -69.92 -40.68 75.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 52.15 109.309 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.815 HD12 ' CZ ' ' A' 2088 ' ' TYR . 0.3 OUTLIER -63.37 -43.62 97.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 61.01 109.267 -179.905 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -46.05 92.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 54.42 110.397 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.68 -43.75 97.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 72.34 110.323 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2100 ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' 2084 ' ' TRP . . . -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 61.2 109.359 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2101 ' ' TRP . . . . . 0.56 ' CD1' ' CZ ' ' A' 2038 ' ' TYR . 0.4 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 65.31 107.986 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -49.72 61.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 63.41 109.31 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2103 ' ' LEU . . . . . 0.599 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 25.0 mt -54.0 -51.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 55.03 109.29 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.72 -45.66 89.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 73.11 110.893 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2105 ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -50.45 -47.93 56.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 60.33 111.002 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -45.21 95.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 72.32 109.601 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2107 ' ' VAL . . . . . 0.833 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.4 t -57.21 -55.78 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 62.52 109.256 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2108 ' ' PHE . . . . . 1.095 ' CD2' HD22 ' A' 2031 ' ' LEU . 8.2 m-85 -65.75 -27.39 68.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.371 1.044 . . . . 74.31 110.971 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2109 ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 0.1 OUTLIER -74.03 -24.54 59.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 74.4 110.3 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.37 -50.25 12.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.598 1.186 . . . . 75.02 110.322 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2111 ' ' ILE . . . . . 0.951 HG23 ' OH ' ' A' 2074 ' ' TYR . 0.6 OUTLIER -60.09 -26.75 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 73.3 109.3 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 18.0 t -82.2 -51.72 7.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.634 1.209 . . . . 72.31 110.047 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.01 136.61 2.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 74.14 109.376 179.825 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.408 1.067 . . . . 72.31 110.286 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.62 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.4 m0 -71.62 -52.86 15.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.035 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.719 ' CD2' ' CZ ' ' A' 2070 ' ' PHE . 3.8 m170 -47.71 -23.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' 2029 ' ' GLU . 1.3 tt0 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.577 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -76.64 -30.87 57.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.703 ' CH2' HD11 ' A' 2078 ' ' LEU . 61.5 m95 -70.35 -51.06 32.69 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 108.089 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -59.35 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.2 OUTLIER -63.62 -36.0 82.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -60.38 -63.9 4.61 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 0.999 HD22 ' CG ' ' A' 2108 ' ' PHE . 7.1 tp -61.17 -34.99 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 0.807 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -45.83 70.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -72.26 -50.31 28.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' A' 2047 ' ' MET . . . -52.13 -49.56 63.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' 2038 ' ' TYR . 0.2 OUTLIER -64.52 -51.69 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -48.71 59.4 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.974 HD12 ' N ' ' A' 2038 ' ' TYR . 2.4 pp -71.43 -42.01 68.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.974 ' N ' HD12 ' A' 2037 ' ' LEU . 17.0 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.992 HG11 HD21 ' A' 2097 ' ' LEU . 3.1 m -74.39 -15.41 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -51.1 40.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.673 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.32 -48.81 62.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.486 ' SD ' ' NE1' ' A' 2101 ' ' TRP . 34.8 ttp -52.83 -48.88 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.962 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.502 ' CG ' ' HE3' ' A' 2089 ' ' MET . 23.0 m-85 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.562 ' O ' ' CD ' ' A' 2053 ' ' PRO . 38.8 mt-10 -75.91 -14.47 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' 2046 ' ' GLY . 27.1 t -84.46 -45.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.27 34.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.494 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.2 OUTLIER -35.51 -56.66 1.01 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.562 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.1 Cg_endo -74.97 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.82 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.577 HD22 ' SD ' ' A' 2026 ' ' MET . 18.5 mt -49.01 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' 2051 ' ' LEU . 55.9 m170 -58.78 -52.41 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.609 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.11 -50.26 59.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.535 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.09 -38.64 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.62 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 5.4 mmt -70.73 -29.94 66.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' 2055 ' ' HIS . 3.2 mt-10 -77.65 -63.53 1.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.1 ptt180 -73.12 -21.59 60.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.41 84.9 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.525 1.803 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -143.63 -78.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.247 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.9 t -164.4 174.08 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -30.97 66.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -33.61 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.52 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 4.0 mm-40 -86.94 -20.64 27.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 10.5 m -54.41 -38.46 66.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 58.1 m -66.09 -33.85 76.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.9 ' CZ ' HG22 ' A' 2111 ' ' ILE . 1.7 t80 -65.73 -54.13 31.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' 2075 ' ' GLY . 28.8 t-20 -61.81 -29.48 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -78.63 -42.47 28.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.66 -45.08 57.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.605 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 34.1 m-85 -99.01 -16.66 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.07 -44.21 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.657 1.223 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -40.2 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -58.94 -60.27 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.703 HD11 ' CH2' ' A' 2027 ' ' TRP . 5.4 mt -52.7 -40.71 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 37.6 ttm -54.65 -46.06 73.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.66 -58.99 4.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.78 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -54.86 -40.27 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . 0.4 ' O ' ' HD3' ' A' 2086 ' ' ARG . 3.7 tt0 -58.0 -41.32 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.44 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.574 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.2 m95 -66.87 -28.77 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.481 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.5 OUTLIER -71.41 -58.32 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' 2082 ' ' GLN . 12.7 mtp180 -55.34 -39.92 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.574 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -65.5 -38.14 88.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.576 ' CZ ' HD22 ' A' 2097 ' ' LEU . 0.9 OUTLIER -71.13 -46.9 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.502 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 0.8 OUTLIER -59.93 -35.77 75.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -84.99 -55.92 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' 2087 ' ' LYS . 11.1 t -69.33 -68.42 0.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.2 91.78 2.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.075 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.3 t30 -159.81 120.89 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -56.62 -41.0 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -49.49 -48.38 47.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.7 -37.82 85.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.992 HD21 HG11 ' A' 2044 ' ' VAL . 4.4 tp -64.14 -44.34 92.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 8.8 m -61.1 -43.81 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -42.68 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.87 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.486 ' NE1' ' SD ' ' A' 2047 ' ' MET . 2.2 m95 -69.32 -30.51 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.33 -50.78 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.78 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 13.1 mt -55.0 -50.4 69.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' 2107 ' ' VAL . 7.2 m-85 -54.36 -54.95 33.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.98 -37.97 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -62.31 -48.62 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -69.53 -49.64 57.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.999 ' CG ' HD22 ' A' 2031 ' ' LEU . 17.6 m-85 -62.07 -30.05 70.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 38.9 ttm180 -74.48 -37.19 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -63.9 -51.42 64.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.9 HG22 ' CZ ' ' A' 2070 ' ' PHE . 19.8 pt -48.75 -33.68 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 4.1 p -86.02 -50.41 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.268 -0.642 . . . . 71.34 109.268 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.511 ' CD2' ' OE1' ' A' 2067 ' ' GLU . 8.6 m0 -49.57 -51.64 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.022 -1.103 . . . . 72.45 108.022 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 4.6 m80 -47.31 -24.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 64.2 109.626 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.6 tm-20 -66.95 -34.8 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 70.1 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.694 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -77.15 -32.91 56.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 73.51 110.987 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.829 ' HH2' HD11 ' A' 2078 ' ' LEU . 67.6 m95 -64.83 -47.38 78.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.44 108.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -64.83 -58.5 6.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 74.33 109.653 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -57.56 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 73.3 110.29 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' 2029 ' ' GLU . . . -58.44 -63.62 5.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 64.11 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 0.929 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.5 mt -60.44 -29.81 69.25 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.592 0.819 . . . . 74.4 109.294 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -54.2 -51.26 64.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.382 1.051 . . . . 73.15 110.239 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -79.4 -47.88 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 72.22 110.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.95 -44.33 74.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 35.34 109.312 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.1 m -73.33 -45.94 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 73.03 109.957 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -51.75 -51.06 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 73.54 110.315 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.484 ' CD2' ' HA3' ' A' 2046 ' ' GLY . 2.8 pp -68.11 -39.08 82.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.51 109.335 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.725 ' HD1' HG12 ' A' 2044 ' ' VAL . 66.3 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.13 110.971 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.282 -0.636 . . . . 64.11 109.282 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.864 HG11 HD21 ' A' 2097 ' ' LEU . 21.4 m -68.46 -12.59 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 75.34 109.373 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.42 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 75.04 109.382 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.648 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.97 -54.34 38.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 62.43 110.987 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.534 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 6.1 tmm? -54.74 -40.73 69.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 73.23 111.089 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' 2052 ' ' GLU . 11.9 m-85 -67.12 -39.28 86.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 75.51 111.037 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.567 ' O ' ' CD ' ' A' 2053 ' ' PRO . 72.4 mt-10 -76.56 -13.69 60.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.611 1.194 . . . . 74.42 110.247 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' 2046 ' ' GLY . 25.1 t -84.15 -45.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 64.11 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.64 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.96 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 73.43 109.284 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.85 -56.28 0.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.138 . . . . 73.21 110.359 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.567 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.95 -51.09 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.466 1.772 . . . . 64.42 111.002 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.668 HD22 ' SD ' ' A' 2026 ' ' MET . 46.0 mt -49.14 -56.38 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 74.4 109.388 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 57.4 m170 -58.55 -52.96 63.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.388 1.055 . . . . 71.3 109.67 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.79 -46.8 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 70.34 109.283 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.476 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.73 -40.19 59.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 53.52 110.847 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.694 ' HE3' ' CE ' ' A' 2026 ' ' MET . 1.0 OUTLIER -70.09 -31.93 69.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.11 111.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.4 mm-40 -72.05 -63.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 65.3 110.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.06 -19.39 60.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 72.04 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.97 80.96 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 52.12 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.15 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 62.34 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.493 ' CG ' HG22 ' A' 2064 ' ' THR . 5.2 tp60 -142.86 -74.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 72.25 110.363 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.493 HG22 ' CG ' ' A' 2063 ' ' GLN . 0.0 OUTLIER -164.35 163.61 22.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.12 110.373 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.6 OUTLIER -51.16 -27.7 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.4 109.328 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.08 64.17 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.063 . . . . 65.51 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.511 ' OE1' ' CD2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -78.74 -19.82 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 72.3 110.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' 2064 ' ' THR . 2.2 m -54.16 -27.17 31.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 74.12 110.391 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -35.99 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 62.2 110.01 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.652 ' HE2' HG22 ' A' 2111 ' ' ILE . 60.2 t80 -65.51 -53.23 45.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.13 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.524 ' O ' ' CA ' ' A' 2075 ' ' GLY . 49.2 t30 -64.17 -28.99 70.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 61.52 109.337 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -78.7 -51.96 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 64.44 110.317 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.91 -49.37 5.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.14 . . . . 74.55 109.323 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.601 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.6 m-85 -96.24 -14.4 22.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 73.02 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.07 -40.03 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.546 1.154 . . . . 75.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -79.06 -53.08 7.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 0.795 . . . . 75.04 110.272 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -51.6 -55.16 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 75.32 109.234 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.829 HD11 ' HH2' ' A' 2027 ' ' TRP . 43.4 mt -52.36 -37.36 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 65.35 109.271 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -47.53 85.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.13 111.035 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.0 tt0 -62.41 -53.66 51.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 62.02 110.332 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.438 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.43 -39.29 64.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.373 1.046 . . . . 44.54 109.301 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 74.21 110.352 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -39.66 93.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 75.22 110.329 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.9 m95 -71.02 -31.61 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.15 108.055 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 94.6 m -61.61 -51.11 69.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.44 108.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.84 98.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 74.3 110.363 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' 2092 ' ' GLY . 4.2 mtpp -52.06 -50.45 61.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 73.44 109.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.07 -44.49 69.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 52.43 111.003 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -49.4 77.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 73.41 111.047 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -59.51 4.8 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.438 1.086 . . . . 70.34 109.202 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.03 61.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 62.31 110.061 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2087 ' ' LYS . . . -102.23 -139.87 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 72.11 111.054 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -148.17 158.87 44.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 60.13 109.394 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -40.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 54.22 109.333 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.0 tttm -49.35 -44.61 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 73.23 109.246 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.4 -36.07 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 65.24 109.35 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.864 HD21 HG11 ' A' 2044 ' ' VAL . 1.5 tp -64.12 -48.62 75.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 74.54 109.25 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.5 m -61.05 -41.42 96.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 74.04 110.408 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -49.09 77.54 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.638 1.211 . . . . 72.11 110.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.46 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.44 109.371 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.69 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -58.55 -40.05 81.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 73.23 107.986 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -51.04 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 71.14 109.22 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' 2107 ' ' VAL . 5.2 mp -54.76 -54.05 47.12 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.146 . . . . 74.34 109.315 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.495 ' O ' HG22 ' A' 2107 ' ' VAL . 14.8 m-85 -55.18 -54.82 38.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 74.03 110.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.07 -36.99 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 75.5 111.118 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 73.14 109.582 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.601 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.0 OUTLIER -66.32 -44.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 72.22 109.275 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.929 ' CG ' HD11 ' A' 2031 ' ' LEU . 13.0 m-85 -65.71 -29.74 70.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 75.02 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.0 ttt180 -75.9 -30.81 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 75.43 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' 2112 ' ' SER . 0.1 OUTLIER -72.56 -51.62 19.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 60.14 110.308 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.652 HG22 ' HE2' ' A' 2070 ' ' PHE . 14.9 pt -42.89 -27.96 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 74.44 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' 2110 ' ' ARG . 0.6 OUTLIER -93.85 -51.41 4.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 71.03 109.982 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 4.8 tptt . . . . . 0 C--N 1.326 -0.413 0 O-C-N 124.494 1.121 . . . . 71.44 109.338 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.296 -0.631 . . . . 73.22 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.573 ' CE3' ' SD ' ' A' 2058 ' ' MET . 10.6 m0 -66.64 -50.91 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.15 . . . . 73.44 107.942 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.29 -22.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 65.35 109.619 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' 2023 ' ' TRP . 3.2 tt0 -75.1 -35.13 61.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 75.22 110.207 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.99 -31.4 66.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 71.34 110.93 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.793 ' HH2' HD11 ' A' 2078 ' ' LEU . 70.6 m95 -74.43 -51.36 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.014 -1.106 . . . . 73.3 108.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.1 t60 -54.33 -55.87 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 71.21 109.606 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 7.4 pt-20 -69.36 -37.18 77.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 74.24 110.306 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -57.28 -65.14 3.78 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.101 . . . . 64.24 110.993 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.152 HD22 ' CG ' ' A' 2108 ' ' PHE . 2.6 tp -60.47 -33.4 72.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 72.24 109.35 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 6.8 mm-40 -53.05 -47.4 68.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.32 110.274 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.2 -51.09 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 63.12 110.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.494 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -51.15 -45.57 61.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 54.13 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' 2038 ' ' TYR . 90.2 p -66.27 -48.65 69.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 75.23 110.001 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' 2032 ' ' GLU . 3.2 tpt180 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 72.25 110.322 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.723 HD22 ' HA3' ' A' 2046 ' ' GLY . 4.6 pp -70.93 -40.61 71.97 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.566 1.166 . . . . 55.34 109.285 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.687 ' N ' HD12 ' A' 2037 ' ' LEU . 11.3 t80 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 75.33 111.066 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.406 ' O ' HD13 ' A' 2037 ' ' LEU . 13.5 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.338 -0.615 . . . . 43.22 109.338 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.816 HG21 HD11 ' A' 2097 ' ' LEU . 3.3 m -71.88 -11.42 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 61.33 109.218 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -50.27 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.13 109.357 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.723 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -53.6 -50.07 55.03 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 31.23 111.044 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.598 ' H ' HD11 ' A' 2037 ' ' LEU . 35.8 ttp -51.75 -56.86 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 0.718 . . . . 71.54 111.036 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.654 ' CD2' ' CE ' ' A' 2089 ' ' MET . 17.2 m-85 -49.29 -41.66 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.24 111.052 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.533 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.8 mt-10 -76.94 -15.85 59.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 71.55 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.837 ' O ' HD22 ' A' 2054 ' ' LEU . 5.1 t -85.6 -43.9 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.414 1.071 . . . . 75.55 109.274 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -76.97 -44.26 31.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 72.34 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -36.82 -54.67 1.69 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.348 1.03 . . . . 60.32 110.286 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.587 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.06 -51.92 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.432 1.753 . . . . 70.24 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.837 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -47.93 -55.57 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 74.03 109.159 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 59.9 m170 -60.97 -53.29 59.11 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 73.53 109.545 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.66 -51.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 73.31 109.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.48 -38.47 44.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 55.24 111.026 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.573 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -67.7 -32.42 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 73.22 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.9 mm-40 -77.52 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 70.54 110.325 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -70.35 -18.55 63.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.41 110.274 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.73 77.84 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 42.13 111.087 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 70.13 110.941 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.445 ' OE1' ' NE1' ' A' 2023 ' ' TRP . 0.0 OUTLIER -143.62 -64.55 0.38 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.521 1.138 . . . . 75.43 110.348 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.492 HG23 ' HB2' ' A' 2066 ' ' LYS . 3.7 t -178.0 175.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 62.55 110.423 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.404 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -55.03 -29.27 57.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 73.41 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . 0.492 ' HB2' HG23 ' A' 2064 ' ' THR . 12.5 mttp -66.98 -39.98 87.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 74.42 109.25 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.492 ' CD ' ' CH2' ' A' 2023 ' ' TRP . 1.4 tm-20 -82.98 -20.64 34.76 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 74.01 110.267 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 12.0 m -54.44 -28.62 45.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 61.41 110.485 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -37.05 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 70.21 110.095 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.573 ' CE2' HG22 ' A' 2111 ' ' ILE . 9.7 t80 -64.79 -50.42 66.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 74.25 111.024 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 58.3 t30 -65.16 -29.04 69.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 72.11 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -78.42 -54.0 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 61.23 110.232 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.98 -48.98 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 73.51 109.187 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.57 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 15.1 m-85 -94.25 -15.64 24.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 74.52 111.085 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.67 -49.66 1.88 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 74.41 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -48.08 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 0.836 . . . . 60.41 110.288 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.52 -58.69 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 55.41 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.793 HD11 ' HH2' ' A' 2027 ' ' TRP . 55.5 mt -52.57 -42.29 64.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.33 109.26 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.9 mtp -56.04 -44.47 78.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.465 1.103 . . . . 53.11 110.969 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.0 tt0 -66.41 -57.09 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 45.42 110.224 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.36 -41.66 63.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.34 109.264 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' 2085 ' ' CYS . 2.5 tp60 -59.7 -43.38 94.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.11 110.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.14 79.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 72.34 110.269 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.459 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.1 m95 -70.43 -33.4 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.927 -1.138 . . . . 72.14 107.927 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' 2082 ' ' GLN . 6.6 t -61.12 -48.08 83.27 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 60.42 108.344 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -61.81 -43.59 98.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 72.25 110.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.17 -43.77 67.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 53.04 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.66 ' CE2' HD12 ' A' 2097 ' ' LEU . 5.7 t80 -72.72 -53.04 12.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 54.42 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.654 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.4 OUTLIER -46.48 -29.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 74.22 111.027 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -56.15 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 61.22 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -160.96 55.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 63.43 110.031 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 55.29 163.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 73.03 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' 2092 ' ' GLY . 1.4 m-20 162.14 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 74.41 109.291 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -48.94 -36.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 63.51 109.215 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 7.3 tttt -53.53 -50.87 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 70.01 109.288 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.87 -39.62 76.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 51.41 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.816 HD11 HG21 ' A' 2044 ' ' VAL . 0.5 OUTLIER -59.31 -48.49 81.43 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.417 1.073 . . . . 43.41 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.6 m -60.86 -42.51 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 74.35 110.338 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.446 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.1 OUTLIER -63.69 -46.06 87.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 63.31 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -64.23 -49.02 73.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 72.54 109.331 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.599 ' HD1' HD22 ' A' 2097 ' ' LEU . 2.5 m95 -56.33 -36.8 69.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.001 -1.111 . . . . 75.55 108.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.6 -50.75 70.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.646 ' O ' HG13 ' A' 2107 ' ' VAL . 5.8 mp -54.53 -53.32 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 72.53 109.283 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.418 ' O ' HG22 ' A' 2107 ' ' VAL . 11.9 m-85 -54.1 -56.65 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 74.43 110.978 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.48 -37.65 17.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 62.52 110.98 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.4 OUTLIER -62.56 -44.31 96.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 75.23 109.619 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -77.78 -38.86 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 72.44 109.247 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.152 ' CG ' HD22 ' A' 2031 ' ' LEU . 8.9 m-85 -68.71 -33.14 73.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 72.43 110.937 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' 2105 ' ' TYR . 8.7 ptm180 -80.04 -33.67 38.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.659 1.224 . . . . 75.51 110.261 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -64.44 -51.38 63.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.533 1.145 . . . . 72.42 110.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.586 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 10.2 pt -44.27 -28.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 73.14 109.247 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 28.8 t -95.21 -55.48 3.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.071 . . . . 71.32 109.964 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 73.34 109.305 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.429 ' CD1' ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.293 -0.632 . . . . 62.21 109.293 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.591 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -77.17 -51.83 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 72.24 107.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.0 m80 -47.26 -22.47 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 74.33 109.586 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' 2023 ' ' TRP . 31.5 tp10 -73.12 -35.36 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 60.21 110.335 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.527 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.2 OUTLIER -72.79 -31.72 65.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 34.04 110.978 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.826 ' HH2' HD11 ' A' 2078 ' ' LEU . 68.7 m95 -72.9 -50.21 25.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.043 -1.095 . . . . 72.41 108.043 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -54.5 -58.99 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 72.22 109.616 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -69.27 -30.58 68.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.59 1.181 . . . . 55.32 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' 2026 ' ' MET . . . -62.39 -63.57 4.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 62.51 110.974 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.103 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.9 tp -60.51 -33.65 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 72.13 109.36 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.34 -53.89 47.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.13 110.265 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.26 -50.42 47.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 70.24 110.36 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.802 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -53.07 -48.39 67.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 42.43 109.326 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 33.6 t -57.28 -47.39 81.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 74.15 110.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -37.37 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 73.11 110.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' 2034 ' ' ALA . 1.8 mt -69.96 -35.79 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 63.51 109.367 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 65.5 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 72.12 110.996 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.258 -0.645 . . . . 62.51 109.258 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.781 HG12 ' CD2' ' A' 2048 ' ' PHE . 13.6 t -64.74 -10.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.32 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -71.35 -39.68 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 73.24 109.272 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.757 ' O ' HG23 ' A' 2050 ' ' VAL . . . -58.58 -57.41 20.01 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.51 1.132 . . . . 72.24 111.042 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.543 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.51 -43.31 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 43.31 110.993 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.781 ' CD2' HG12 ' A' 2044 ' ' VAL . 1.7 m-85 -69.52 -37.43 77.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.538 1.149 . . . . 75.44 110.999 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 81.4 mt-10 -75.42 -13.54 60.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 74.55 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.928 ' O ' HD22 ' A' 2054 ' ' LEU . 24.5 t -84.95 -44.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 71.35 109.274 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -45.13 32.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 72.23 109.181 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.7 mt-10 -35.78 -55.62 1.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 65.23 110.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.571 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.96 -50.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.4 1.737 . . . . 65.51 110.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.05 -55.25 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 65.45 109.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 47.1 m170 -60.67 -51.88 67.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.42 109.624 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.41 -51.51 58.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 72.24 109.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.92 -37.65 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 72.11 110.996 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.591 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -68.1 -32.78 73.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 74.32 110.998 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.49 -63.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 74.33 110.339 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' 2056 ' ' ALA . 2.6 ptm85 -72.54 -12.33 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 74.3 110.27 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -124.96 71.04 0.46 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 53.3 110.949 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.01 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.83 . . . . 65.52 110.972 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.434 ' C ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -144.54 -84.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.53 110.322 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.434 ' CG2' ' C ' ' A' 2063 ' ' GLN . 43.7 p -152.25 -169.18 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 75.2 110.394 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -48.87 -30.76 6.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 70.32 109.152 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -53.27 57.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 73.32 109.322 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.467 ' CG ' ' CH2' ' A' 2023 ' ' TRP . 3.4 tm-20 -58.71 -34.99 71.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 74.35 110.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.0 OUTLIER -55.01 -39.8 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 45.43 110.422 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -39.4 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 62.34 109.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.838 ' CZ ' HG22 ' A' 2111 ' ' ILE . 1.3 t80 -64.83 -53.4 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.22 111.046 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.545 ' O ' ' CA ' ' A' 2075 ' ' GLY . 31.0 t30 -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 75.34 109.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -78.81 -51.22 10.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 73.2 110.26 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.03 -51.54 5.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 63.53 109.237 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.585 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 21.8 m-85 -95.48 -13.42 24.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.6 1.187 . . . . 73.14 110.938 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.545 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.56 -43.71 3.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 54.32 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -46.21 26.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.507 0.769 . . . . 73.13 110.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.91 -59.14 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 70.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.826 HD11 ' HH2' ' A' 2027 ' ' TRP . 9.7 mt -51.91 -39.79 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 73.0 109.287 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 9.4 mmm -57.47 -46.56 83.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 70.44 111.028 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.567 ' HG2' HD21 ' A' 2103 ' ' LEU . 22.7 tt0 -65.36 -58.5 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.4 110.355 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.696 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.9 -41.99 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 72.5 109.298 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.35 84.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.409 1.068 . . . . 63.21 110.296 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -37.48 87.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.129 . . . . 71.3 110.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.57 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 90.9 m95 -65.02 -35.5 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 72.33 108.076 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.0 t -63.51 -57.07 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 75.42 108.262 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -33.54 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 73.44 110.247 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.57 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -71.15 -32.39 68.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 71.13 109.36 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.694 ' CE2' HG11 ' A' 2044 ' ' VAL . 54.9 t80 -79.19 -43.47 23.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 71.12 110.982 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.65 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.6 mtt -65.0 -36.52 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 75.44 110.999 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -58.79 3.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 70.32 109.279 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.37 66.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 74.55 110.059 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.96 15.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 74.31 111.041 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.16 161.81 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 64.34 109.336 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' 2095 ' ' LYS . 0.3 OUTLIER -48.39 -43.13 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.625 1.203 . . . . 75.02 109.363 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . 0.4 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.9 OUTLIER -49.27 -46.36 46.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 73.32 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' 2096 ' ' ASP . 0.5 OUTLIER -66.26 -42.89 87.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 60.13 109.302 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.677 HD22 ' CZ ' ' A' 2088 ' ' TYR . 8.0 tp -60.39 -44.87 95.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 72.43 109.276 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 95.7 m -59.62 -44.13 93.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 72.42 110.453 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.7 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 73.05 110.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.38 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 74.41 109.268 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -32.09 73.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.983 -1.117 . . . . 72.4 107.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -47.67 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 73.43 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.696 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 6.6 mp -54.6 -53.07 59.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 73.22 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.463 ' O ' HG22 ' A' 2107 ' ' VAL . 13.1 m-85 -54.47 -55.06 32.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 71.15 110.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.498 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.8 -37.63 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 75.35 111.001 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -51.41 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.353 1.033 . . . . 60.44 109.64 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -67.71 -48.77 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 74.43 109.263 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.103 ' CG ' HD22 ' A' 2031 ' ' LEU . 13.5 m-85 -61.47 -30.31 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 72.11 110.969 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' 2105 ' ' TYR . 6.1 ttt180 -77.12 -33.41 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 74.33 110.305 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -66.25 -52.28 49.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 75.41 110.338 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.838 HG22 ' CZ ' ' A' 2070 ' ' PHE . 11.2 pt -44.35 -38.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 64.11 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 18.5 p -79.98 -50.59 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 75.13 110.034 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 74.41 109.341 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.337 -0.616 . . . . 71.13 109.337 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.614 ' CG ' ' CE ' ' A' 2058 ' ' MET . 11.5 m0 -63.93 -52.32 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 75.21 107.964 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.7 m80 -45.76 -26.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 74.4 109.643 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -71.06 -35.01 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 62.44 110.19 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.557 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.29 -30.87 66.79 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.618 1.199 . . . . 72.5 111.008 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.834 ' HH2' HD11 ' A' 2078 ' ' LEU . 64.3 m95 -72.82 -51.12 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 73.52 108.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -53.12 -58.8 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 75.04 109.552 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 73.42 110.266 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -58.87 -63.65 5.01 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 52.05 111.003 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.139 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.2 tp -58.98 -33.16 70.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.807 . . . . 60.23 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -53.68 48.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 64.22 110.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -68.64 -50.94 47.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.4 110.348 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -51.55 -49.13 62.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 74.45 109.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 14.6 p -61.44 -38.16 86.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 74.21 109.982 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -35.15 75.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.16 . . . . 73.34 110.251 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.779 HD13 ' HA3' ' A' 2046 ' ' GLY . 1.4 mt -70.57 -47.51 59.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 70.02 109.285 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 47.9 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 75.4 111.076 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.456 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 15.0 m-20 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.287 -0.634 . . . . 71.21 109.287 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.698 HG12 ' CD2' ' A' 2048 ' ' PHE . 40.7 t -63.55 -19.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 64.34 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.92 -35.73 34.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 61.25 109.352 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.811 ' O ' HG23 ' A' 2050 ' ' VAL . . . -59.01 -49.46 78.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.476 1.11 . . . . 10.1 110.967 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.613 ' O ' HD22 ' A' 2051 ' ' LEU . 10.3 tmm? -62.87 -41.75 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.13 111.019 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.698 ' CD2' HG12 ' A' 2044 ' ' VAL . 9.9 m-85 -72.95 -39.34 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 62.42 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -75.57 -14.2 60.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 74.4 110.449 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.925 ' O ' HD22 ' A' 2054 ' ' LEU . 5.4 t -85.05 -43.49 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 74.22 109.257 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.652 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.64 -46.95 23.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.32 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.3 mm-40 -34.53 -54.65 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 70.11 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.05 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 75.2 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.925 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.41 -55.88 9.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.415 1.072 . . . . 62.31 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 61.4 m170 -60.43 -53.09 61.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 73.03 109.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.37 -51.38 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 54.1 109.375 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.534 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.77 -39.06 51.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 65.35 110.957 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.614 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 1.3 mmt -67.4 -31.93 72.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 65.43 111.018 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.1 mm-40 -77.43 -64.74 1.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.446 1.091 . . . . 64.23 110.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' 2056 ' ' ALA . 10.0 ptm180 -70.08 -21.4 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.14 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.534 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.8 0.3 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 73.31 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.361 1.716 . . . . 75.2 110.909 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' 2064 ' ' THR . 0.8 OUTLIER -143.49 -78.12 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 64.41 110.338 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.566 HG23 ' O ' ' A' 2063 ' ' GLN . 17.0 p -157.63 -176.4 5.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.501 1.125 . . . . 74.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -27.88 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 72.41 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.2 mptt -71.65 -42.96 66.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 71.25 109.388 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.446 ' CB ' ' HB2' ' A' 2063 ' ' GLN . 0.2 OUTLIER -74.77 -19.8 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 74.23 110.312 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -61.42 -38.68 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 44.5 110.447 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 13.6 m -73.84 -29.93 62.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 64.23 110.073 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.448 ' O ' ' CD2' ' A' 2074 ' ' TYR . 5.4 t80 -68.72 -53.33 22.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 71.34 111.018 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.08 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 72.11 109.365 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -78.02 -43.41 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 61.42 110.32 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.06 14.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.21 109.287 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.566 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.1 m-85 -88.37 -23.46 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.2 110.927 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -36.31 -35.25 0.1 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.534 1.146 . . . . 60.34 110.932 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.26 -56.67 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 60.1 110.309 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.32 -55.8 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 71.41 109.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.834 HD11 ' HH2' ' A' 2027 ' ' TRP . 17.9 mt -52.46 -37.25 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 74.12 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -47.32 86.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 52.21 111.041 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.589 ' HG2' HD21 ' A' 2103 ' ' LEU . 2.8 tt0 -63.33 -59.92 4.07 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.63 1.207 . . . . 71.23 110.379 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.677 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -52.62 -41.61 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 62.31 109.259 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -43.36 82.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.494 1.121 . . . . 64.15 110.366 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -38.47 90.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 60.33 110.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.421 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.7 m95 -65.27 -33.64 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 71.15 108.012 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 6.6 t -65.49 -58.2 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 63.24 108.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -40.86 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 61.33 110.307 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.31 87.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 75.11 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.56 ' CE2' HD12 ' A' 2097 ' ' LEU . 3.1 t80 -74.4 -52.18 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 74.12 111.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.571 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -54.04 -31.74 52.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 64.24 110.938 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -71.72 -58.37 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.04 109.315 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.59 66.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 64.04 110.137 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -113.6 -139.4 7.27 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.434 1.084 . . . . 72.01 110.965 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.45 164.25 38.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 73.33 109.35 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -34.39 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.5 109.327 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.34 -49.11 45.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 75.44 109.346 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.08 -35.3 76.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 63.24 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' 2088 ' ' TYR . 0.9 OUTLIER -64.18 -45.35 88.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 72.01 109.315 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 52.6 m -61.83 -45.14 95.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 62.25 110.372 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.448 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.2 OUTLIER -56.26 -46.09 79.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 73.12 110.316 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -63.01 -39.79 95.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.44 109.331 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' 2105 ' ' TYR . 1.1 m95 -65.12 -32.68 74.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 74.34 107.998 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -50.67 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 72.34 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.677 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 7.5 mp -54.41 -52.9 60.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 50.34 109.342 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' 2107 ' ' VAL . 13.4 m-85 -53.79 -56.01 21.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 74.41 110.956 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.71 -36.7 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 71.52 111.042 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . 0.45 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.9 OUTLIER -63.39 -45.36 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 71.43 109.616 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -76.17 -37.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 74.33 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.139 ' CG ' HD22 ' A' 2031 ' ' LEU . 7.3 m-85 -69.46 -33.61 73.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 70.14 111.072 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.494 HH21 ' CE ' ' A' 2113 ' ' LYS . 0.1 OUTLIER -81.72 -28.54 33.36 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.474 1.109 . . . . 65.32 110.274 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' 2106 ' ' HIS . 0.3 OUTLIER -69.38 -52.44 27.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 75.21 110.311 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' 2108 ' ' PHE . 3.3 pt -42.42 -33.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.3 109.262 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' 2113 ' ' LYS . 81.5 p -84.83 -56.91 3.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 74.42 110.007 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . 0.494 ' CE ' HH21 ' A' 2109 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.548 0 O-C-N 124.511 1.132 . . . . 73.5 109.203 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' 2023 ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.351 -0.611 . . . . 63.43 109.351 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.733 ' H ' HD23 ' A' 2022 ' ' LEU . 5.0 m0 -48.78 -49.68 37.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.53 108.132 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m170 -47.18 -22.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.14 109.576 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.1 tt0 -72.99 -36.02 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 62.11 110.236 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.561 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -72.76 -32.67 65.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.384 1.052 . . . . 73.22 110.918 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.821 ' HH2' HD11 ' A' 2078 ' ' LEU . 69.3 m95 -71.82 -51.62 21.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 63.01 108.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.5 OUTLIER -53.49 -59.6 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 74.04 109.595 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.442 ' N ' ' CD2' ' A' 2028 ' ' HIS . 9.0 pt-20 -67.46 -33.94 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.01 110.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' 2026 ' ' MET . . . -59.69 -64.17 4.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 45.44 110.947 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.132 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.4 tp -60.28 -30.53 69.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 64.14 109.31 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 4.7 mm-40 -54.72 -53.27 57.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.35 110.352 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.436 ' HG2' HG21 ' A' 2050 ' ' VAL . 1.8 tt0 -68.88 -50.13 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 72.31 110.33 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -55.92 -48.52 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.48 1.113 . . . . 62.54 109.415 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' 2031 ' ' LEU . 83.6 p -56.82 -43.88 81.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 71.13 110.052 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -34.16 75.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 63.21 110.281 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' 2034 ' ' ALA . 3.1 mt -69.78 -33.48 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 74.24 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 73.04 110.954 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.382 -0.599 . . . . 70.14 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.757 HG12 ' CE2' ' A' 2048 ' ' PHE . 35.6 t -53.24 -20.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 73.23 109.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.89 -37.12 41.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 70.4 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.26 -55.2 27.68 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.539 1.149 . . . . 64.42 111.011 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.575 ' CE ' HG13 ' A' 2044 ' ' VAL . 9.0 tmm? -57.7 -55.07 39.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 62.44 111.068 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.757 ' CE2' HG12 ' A' 2044 ' ' VAL . 10.3 m-85 -50.06 -43.68 51.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 73.5 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.8 OUTLIER -76.01 -15.4 60.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 63.02 110.344 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.989 ' O ' HD22 ' A' 2054 ' ' LEU . 12.1 t -85.87 -44.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.142 . . . . 72.32 109.357 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.85 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.27 -41.8 39.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 60.31 109.204 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.7 OUTLIER -38.79 -54.69 3.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 74.45 110.223 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.01 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 63.41 110.939 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.01 -54.92 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 63.14 109.331 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' 2059 ' ' GLU . 61.8 m170 -60.37 -52.95 63.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 64.41 109.66 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.02 -51.8 54.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 61.55 109.3 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.58 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.58 -35.84 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 62.2 110.973 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.561 ' HE3' ' CE ' ' A' 2026 ' ' MET . 1.4 mmt -70.58 -31.89 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.193 . . . . 65.41 110.984 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.9 mm-40 -77.63 -64.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 74.03 110.316 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.5 -24.52 61.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 70.14 110.347 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.58 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.99 81.67 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 43.21 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 65.1 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.645 ' O ' HG23 ' A' 2064 ' ' THR . 9.0 tt0 -133.75 -62.67 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 74.42 110.163 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.645 HG23 ' O ' ' A' 2063 ' ' GLN . 5.0 p -158.83 -169.44 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 73.42 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.5 OUTLIER -69.83 -27.3 64.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 71.25 109.252 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -75.03 -32.45 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 74.45 109.249 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.577 ' HG3' ' CH2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -46.19 -25.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 75.35 110.34 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' 2072 ' ' GLN . 35.8 p -55.13 -48.44 73.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 61.4 110.409 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' 2073 ' ' ALA . 8.0 t -53.55 -42.59 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 54.45 109.916 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' 2111 ' ' ILE . 22.4 t80 -72.86 -53.96 10.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.385 1.053 . . . . 75.44 110.905 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.526 ' O ' ' CA ' ' A' 2075 ' ' GLY . 16.8 t-20 -59.35 -31.89 69.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 72.31 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' 2068 ' ' THR . 2.7 mt-30 -80.91 -51.59 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.637 1.211 . . . . 71.41 110.382 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -42.47 -43.75 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 62.4 109.227 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.7 m-85 -102.88 -15.68 16.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 64.51 110.93 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.83 -53.08 2.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 53.54 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.14 -39.27 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 75.14 110.196 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.43 -61.28 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.34 109.304 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.821 HD11 ' HH2' ' A' 2027 ' ' TRP . 16.7 mt -52.1 -38.1 56.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 41.42 109.266 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 12.6 mmm -58.07 -47.94 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 71.41 111.04 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -62.91 -59.35 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 74.52 110.227 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.13 -41.61 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 54.5 109.317 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -55.31 -44.15 75.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.35 110.273 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.43 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.12 -36.59 84.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 73.45 110.276 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.2 m95 -71.14 -32.58 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.016 -1.105 . . . . 73.44 108.016 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.48 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 11.1 t -61.07 -49.56 76.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 73.42 108.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 74.43 110.328 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.43 ' CE ' ' HG3' ' A' 2083 ' ' GLU . 10.1 mttt -49.7 -48.86 49.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 73.24 109.275 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 7.5 t80 -69.94 -52.52 23.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 72.54 111.075 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.478 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -46.18 -25.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 71.24 111.008 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -41.66 88.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 74.32 109.249 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.77 -47.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 40.45 110.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 130.77 88.77 0.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 73.21 110.89 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . 0.477 ' N ' ' CD2' ' A' 2088 ' ' TYR . 2.3 m-20 -110.83 96.43 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 73.2 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 t -46.09 -44.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 73.41 109.325 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -46.89 69.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 65.15 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -69.04 -49.88 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 72.53 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.741 HD21 HG21 ' A' 2044 ' ' VAL . 21.7 tp -53.9 -44.78 70.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 73.24 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 5.9 m -59.69 -48.4 81.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 70.33 110.462 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -40.42 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 75.02 110.289 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -67.57 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 63.42 109.397 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.5 m95 -72.53 -29.75 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 75.53 107.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.8 -50.89 30.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 73.41 109.294 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.688 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 3.7 mt -55.8 -51.13 68.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 72.02 109.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' 2100 ' ' ALA . 12.9 m-85 -53.17 -56.03 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 71.22 110.953 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.19 -38.68 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 73.13 111.064 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -50.48 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 73.23 109.594 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -70.82 -49.27 51.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 64.44 109.365 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.132 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -59.64 -31.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 71.44 110.952 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.9 OUTLIER -78.29 -35.58 47.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.43 110.271 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -50.8 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 75.25 110.361 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.618 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -47.83 -35.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 75.43 109.368 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 1.8 p -80.71 -43.73 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 53.31 109.956 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . 0.441 ' HZ1' HH21 ' A' 2109 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 70.44 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.284 -0.636 . . . . 65.31 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.566 ' CE3' ' SD ' ' A' 2058 ' ' MET . 7.5 m0 -78.13 -48.22 16.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.005 -1.109 . . . . 73.3 108.005 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' 2028 ' ' HIS . 2.9 m80 -47.47 -22.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 74.22 109.602 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -70.43 -37.02 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 75.24 110.345 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.505 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -75.11 -31.62 61.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 75.01 110.979 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.771 ' HH2' HD11 ' A' 2078 ' ' LEU . 69.2 m95 -71.56 -51.06 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 75.11 108.078 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' 2024 ' ' HIS . 13.7 m170 -56.07 -51.57 67.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 71.53 109.567 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.3 mm-40 -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 65.24 110.292 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' 2026 ' ' MET . . . -60.31 -65.23 3.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 61.34 110.958 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.12 HD22 ' CG ' ' A' 2108 ' ' PHE . 0.9 OUTLIER -61.27 -31.79 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 0.714 . . . . 72.31 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 7.8 mt-10 -54.23 -49.89 68.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 74.24 110.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.73 -51.05 11.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 74.11 110.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.532 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -52.29 -43.42 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 72.45 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' 2031 ' ' LEU . 27.2 p -73.54 -49.77 24.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 55.21 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -48.0 49.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 74.24 110.362 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' 2038 ' ' TYR . 4.0 pp -70.47 -46.52 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 71.12 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.843 ' N ' HD12 ' A' 2037 ' ' LEU . 68.3 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.358 1.036 . . . . 74.54 110.945 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 71.05 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.943 HG21 HD21 ' A' 2097 ' ' LEU . 53.3 t -57.04 -20.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 55.15 109.367 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -49.91 -42.12 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 63.32 109.286 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.499 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -54.12 -54.11 33.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 60.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.552 ' HE3' ' CG1' ' A' 2044 ' ' VAL . 12.2 tmm? -52.59 -55.12 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.801 . . . . 62.1 110.971 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.673 ' CD2' ' HE3' ' A' 2089 ' ' MET . 8.4 m-85 -51.48 -39.33 57.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 73.43 111.019 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.1 mt-10 -76.86 -16.17 59.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 63.43 110.356 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.986 ' O ' HD22 ' A' 2054 ' ' LEU . 4.4 t -87.01 -43.54 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 71.44 109.258 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.73 -39.53 44.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 75.14 109.324 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' 2048 ' ' PHE . 1.1 mm-40 -40.83 -54.57 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.32 110.378 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.593 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.9 Cg_endo -75.03 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.434 1.755 . . . . 71.41 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.76 -53.93 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 54.35 109.282 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 51.7 m170 -60.87 -52.74 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 52.25 109.617 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.51 -51.31 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.637 1.211 . . . . 75.34 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.21 -37.42 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.4 111.032 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.566 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.1 mmt -69.13 -32.01 71.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 71.43 111.007 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.22 -63.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.15 110.352 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' 2056 ' ' ALA . 8.5 ptm180 -71.59 -20.71 61.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 64.34 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.19 80.49 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 75.3 110.971 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 74.22 110.996 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.498 ' HG2' HG22 ' A' 2064 ' ' THR . 10.6 tt0 -143.36 -75.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 75.24 110.374 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.498 HG22 ' HG2' ' A' 2063 ' ' GLN . 1.2 t -163.89 165.5 22.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 72.21 110.425 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' 2065 ' ' LEU . 3.1 mt -54.46 -27.85 40.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 74.01 109.361 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 5.6 tttm -71.24 -35.79 71.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 51.34 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 0.0 OUTLIER -85.79 -19.02 31.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 74.42 110.334 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.1 m -54.26 -26.45 29.04 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.471 1.107 . . . . 75.52 110.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -38.36 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 72.11 109.979 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.623 ' CE2' HG22 ' A' 2111 ' ' ILE . 4.5 t80 -63.85 -47.56 80.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.382 1.051 . . . . 74.3 110.963 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.509 ' O ' ' CA ' ' A' 2075 ' ' GLY . 6.7 t30 -69.52 -28.47 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 62.03 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -54.1 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 65.31 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.44 -52.14 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 70.32 109.247 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.3 m-85 -91.55 -15.31 28.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 63.51 111.081 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.1 -43.88 1.94 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 63.11 111.012 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -50.52 12.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 0.803 . . . . 63.14 110.362 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.79 -54.94 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.11 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.771 HD11 ' HH2' ' A' 2027 ' ' TRP . 52.6 mt -52.48 -38.16 58.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 74.3 109.346 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.469 1.105 . . . . 75.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.54 ' OE1' HD21 ' A' 2103 ' ' LEU . 31.5 tt0 -62.64 -54.33 41.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.634 1.209 . . . . 73.24 110.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.56 -39.34 64.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.436 1.085 . . . . 63.12 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -39.71 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 72.44 110.266 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -39.0 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 71.15 110.278 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.435 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.8 m95 -68.61 -34.54 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 72.32 108.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -58.25 -56.41 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 63.12 108.329 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -37.66 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 63.24 110.35 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.451 ' CB ' ' OD2' ' A' 2096 ' ' ASP . 1.8 mtpp -56.56 -48.89 76.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 72.33 109.272 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -70.67 -45.67 64.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 63.52 111.008 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.673 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -56.44 -30.57 63.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 75.11 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.91 -57.3 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 72.04 109.32 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 23.1 t -69.83 -63.02 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 65.25 110.003 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.9 84.17 1.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 74.32 110.969 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.68 125.26 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 62.04 109.349 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 p -61.68 -38.81 81.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 62.23 109.212 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.2 tttt -49.5 -51.72 34.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.517 1.136 . . . . 71.11 109.23 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . 0.466 ' OD1' ' C ' ' A' 2096 ' ' ASP . 0.6 OUTLIER -64.98 -42.8 94.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 70.15 109.325 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.943 HD21 HG21 ' A' 2044 ' ' VAL . 2.5 tp -58.18 -46.79 85.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 72.01 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 21.0 m -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 63.32 110.455 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -48.09 75.59 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.509 1.13 . . . . 63.34 110.265 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.36 -47.04 87.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 72.21 109.34 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.452 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.1 m95 -58.19 -31.0 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.955 -1.128 . . . . 64.35 107.955 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.04 -49.69 66.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 65.44 109.298 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' 2107 ' ' VAL . 6.3 mp -54.41 -52.91 60.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.54 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' 2107 ' ' VAL . 11.1 m-85 -53.87 -55.87 22.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 65.33 111.084 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.81 -36.94 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 64.3 110.963 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -50.71 70.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 72.15 109.537 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -70.48 -49.37 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 63.33 109.303 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.12 ' CG ' HD22 ' A' 2031 ' ' LEU . 15.0 m-85 -59.77 -29.86 68.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 75.02 111.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.8 OUTLIER -76.84 -39.78 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.172 . . . . 72.13 110.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -51.33 69.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 73.23 110.296 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.623 HG22 ' CE2' ' A' 2070 ' ' PHE . 19.0 pt -46.22 -39.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.36 1.037 . . . . 72.45 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 16.0 p -81.93 -53.82 5.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 71.34 110.009 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 74.14 109.344 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.48 HD12 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.251 -0.648 . . . . 62.25 109.251 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.584 ' CE3' ' SD ' ' A' 2058 ' ' MET . 11.5 m0 -56.46 -48.21 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 73.35 108.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.2 m170 -46.9 -25.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 73.34 109.606 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' 2022 ' ' LEU . 36.9 tt0 -70.69 -33.68 71.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 55.2 110.265 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.967 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -75.32 -30.54 60.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 75.15 110.908 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.824 ' HH2' HD11 ' A' 2078 ' ' LEU . 62.9 m95 -71.56 -50.88 26.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.175 . . . . 71.23 108.068 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.8 t60 -57.35 -57.93 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 52.32 109.568 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.71 -35.2 79.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 70.23 110.204 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.29 -63.31 4.99 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 55.13 111.017 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.123 HD22 ' CG ' ' A' 2108 ' ' PHE . 6.5 tp -56.92 -36.99 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 44.45 109.364 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.06 -53.97 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 75.45 110.3 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.766 ' OE2' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER -61.55 -50.4 72.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 74.12 110.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -55.1 -40.87 70.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 71.11 109.267 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' 2031 ' ' LEU . 0.6 OUTLIER -72.41 -51.96 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 63.04 109.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -50.79 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 72.31 110.262 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.766 HD23 ' OE2' ' A' 2033 ' ' GLU . 3.1 pp -68.7 -45.08 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 72.02 109.368 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' 2044 ' ' VAL . 19.9 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 72.4 111.038 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.42 ' HB3' ' HG2' ' A' 2045 ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.303 -0.628 . . . . 73.21 109.303 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.654 HG21 HD11 ' A' 2097 ' ' LEU . 34.5 m -77.33 -29.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 70.14 109.35 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.15 -40.86 25.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 64.33 109.289 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.96 -50.65 64.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 63.04 110.967 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.499 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 4.7 tmm? -53.49 -44.68 69.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 0.699 . . . . 74.04 111.045 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.47 ' CD1' ' SD ' ' A' 2047 ' ' MET . 11.2 m-85 -65.8 -36.18 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 62.55 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.6 mm-40 -75.89 -14.42 60.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 72.2 110.289 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.578 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.3 t -84.62 -43.18 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 65.34 109.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.695 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.75 -46.19 26.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.373 1.046 . . . . 74.13 109.254 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.35 -55.09 1.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 75.24 110.301 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.578 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.06 -50.96 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 74.53 110.939 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.967 HD22 ' SD ' ' A' 2026 ' ' MET . 27.9 mt -49.34 -56.49 9.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 72.23 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 58.7 m170 -59.91 -53.06 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 75.15 109.663 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.86 -50.52 45.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.24 109.408 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.52 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.17 -38.23 50.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 74.13 111.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.584 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -67.81 -32.5 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.381 1.051 . . . . 53.04 111.042 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.2 mm-40 -77.12 -64.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 74.05 110.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 2056 ' ' ALA . 3.7 ptt180 -69.49 -21.9 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 71.21 110.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.35 84.7 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 70.24 111.009 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.542 1.811 . . . . 61.55 111.067 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.506 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.9 OUTLIER -152.04 -73.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 71.55 110.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' 2063 ' ' GLN . 26.6 p -157.51 177.71 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 72.31 110.418 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.93 -27.87 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 64.42 109.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -36.76 78.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 71.13 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.542 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 3.2 mm-40 -81.4 -23.57 37.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 72.41 110.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -55.73 -34.7 65.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.21 110.393 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.6 t -74.04 -36.74 64.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.4 110.006 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.631 ' CE2' HG22 ' A' 2111 ' ' ILE . 9.8 t80 -63.96 -48.24 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.22 111.089 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' 2075 ' ' GLY . 29.0 t30 -66.85 -28.92 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 73.32 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -79.12 -52.29 8.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.32 110.291 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.92 -35.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.378 1.049 . . . . 62.32 109.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.589 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.8 m-85 -107.72 -20.58 13.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 75.14 111.005 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -37.23 -39.18 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.283 0.99 . . . . 64.22 110.919 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -78.38 -48.25 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 71.03 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.02 -56.98 14.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 71.34 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.824 HD11 ' HH2' ' A' 2027 ' ' TRP . 11.6 mt -52.53 -39.15 61.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 74.34 109.339 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.5 mmm -57.73 -48.29 80.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 50.32 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.97 -55.92 28.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.612 1.195 . . . . 70.1 110.38 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -55.79 -43.14 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.576 1.172 . . . . 71.23 109.269 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -53.73 -40.22 65.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 75.41 110.376 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.496 ' HA ' ' NE ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -68.15 -37.13 80.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 64.22 110.235 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.52 -23.53 58.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.187 . . . . 71.34 107.969 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 9.9 t -67.67 -58.94 3.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 71.45 108.39 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' 2083 ' ' GLU . 4.8 ptt180 -63.24 -27.56 69.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 72.12 110.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.465 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.4 OUTLIER -61.09 -54.91 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.33 109.326 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.433 ' CZ ' HD12 ' A' 2097 ' ' LEU . 9.1 t80 -67.63 -34.78 77.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 72.24 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -50.06 61.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 63.31 111.053 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -58.13 8.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 65.44 109.355 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.53 66.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 72.42 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -111.8 -130.75 5.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 62.41 110.977 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -161.47 167.75 24.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 0.774 . . . . 72.31 109.227 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.3 -33.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 72.45 109.259 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 14.2 tttt -50.52 -49.45 55.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 71.31 109.239 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.62 74.47 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.616 1.197 . . . . 63.41 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.654 HD11 HG21 ' A' 2044 ' ' VAL . 0.7 OUTLIER -66.38 -49.09 68.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 74.14 109.366 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -59.27 -42.41 91.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.634 1.209 . . . . 61.53 110.383 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -43.86 95.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 71.4 110.363 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.612 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -63.64 -40.4 96.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.25 109.297 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.419 ' NE1' ' HG3' ' A' 2047 ' ' MET . 0.8 OUTLIER -70.25 -29.79 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 73.34 108.01 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.96 -51.02 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 72.33 109.408 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.662 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 4.3 mt -55.27 -53.17 59.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.591 1.182 . . . . 70.13 109.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' 2100 ' ' ALA . 20.0 m-85 -54.57 -56.27 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 74.14 110.948 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 1.1 t80 -47.71 -34.88 8.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 54.2 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -53.94 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 72.22 109.541 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' 2103 ' ' LEU . 0.9 OUTLIER -63.51 -49.98 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 64.22 109.344 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.123 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -57.39 -29.33 63.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 74.23 110.975 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 1.1 mtt180 -76.05 -38.51 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 73.21 110.191 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -51.19 69.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 71.25 110.339 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.631 HG22 ' CE2' ' A' 2070 ' ' PHE . 16.1 pt -48.14 -27.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 74.12 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.56 -50.88 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.13 109.898 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 72.02 109.342 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' 2022 ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.307 -0.627 . . . . 60.24 109.307 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.602 ' CZ2' ' OE1' ' A' 2063 ' ' GLN . 10.6 m0 -63.88 -51.04 66.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.886 -1.153 . . . . 62.5 107.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' 2024 ' ' HIS . 2.0 m170 -45.84 -24.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 75.55 109.537 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' 2029 ' ' GLU . 2.9 tt0 -73.62 -40.25 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 64.33 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.523 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.1 OUTLIER -67.08 -31.45 71.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 74.53 111.051 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.762 ' HH2' HD11 ' A' 2078 ' ' LEU . 66.2 m95 -73.01 -50.8 21.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 75.31 108.017 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -50.69 72.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 72.3 109.551 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.1 mm-40 -67.38 -45.64 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 75.43 110.328 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -52.29 -64.64 3.85 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.605 1.191 . . . . 62.45 110.996 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.156 HD22 ' CG ' ' A' 2108 ' ' PHE . 1.9 tp -58.97 -34.04 71.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.787 . . . . 72.45 109.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -53.61 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 74.21 110.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' 2037 ' ' LEU . 4.1 tt0 -69.44 -51.09 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 73.11 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.502 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -50.99 -46.96 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 72.54 109.323 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 2031 ' ' LEU . 4.3 t -65.66 -53.73 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 54.14 110.013 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -48.49 57.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.5 1.125 . . . . 72.2 110.239 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.949 HD12 ' N ' ' A' 2038 ' ' TYR . 2.9 pp -70.73 -44.34 67.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 75.15 109.257 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.949 ' N ' HD12 ' A' 2037 ' ' LEU . 27.6 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.24 111.014 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.425 ' O ' HD13 ' A' 2037 ' ' LEU . 32.6 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.268 -0.641 . . . . 73.22 109.268 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.922 HG21 HD21 ' A' 2097 ' ' LEU . 55.5 t -51.71 -22.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 72.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -45.91 62.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 73.34 109.274 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.584 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -53.46 -54.01 32.26 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.477 1.11 . . . . 72.5 110.976 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.613 ' CE ' HG13 ' A' 2044 ' ' VAL . 12.7 tmm? -51.49 -54.73 24.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 0.782 . . . . 70.33 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.711 ' CE2' HG12 ' A' 2044 ' ' VAL . 20.6 m-85 -49.84 -42.81 48.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 75.12 111.052 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 2.4 mm-40 -76.87 -15.29 59.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 64.01 110.254 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.78 ' O ' HD22 ' A' 2054 ' ' LEU . 6.2 t -85.31 -45.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 72.21 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.29 -43.1 34.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 70.54 109.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -37.19 -54.63 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 74.24 110.31 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.585 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.95 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 75.14 110.929 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.03 -55.56 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 64.23 109.354 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 32.4 m170 -61.2 -52.44 64.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 70.12 109.598 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.22 -52.32 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 74.05 109.349 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.518 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -49.98 -38.84 38.82 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.529 1.143 . . . . 62.22 110.997 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.4 mmt -68.51 -31.63 71.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 74.51 110.993 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.1 mt-10 -78.11 -63.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 50.13 110.369 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.78 -15.95 62.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 71.43 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.82 75.05 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.437 1.086 . . . . 62.41 111.073 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.0 Cg_endo -75.13 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.463 1.77 . . . . 74.31 110.931 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.626 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -139.4 -81.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 71.52 110.315 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.626 HG23 ' O ' ' A' 2063 ' ' GLN . 1.9 p -157.73 -172.7 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 63.05 110.333 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.82 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 54.54 109.268 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -36.68 76.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.31 109.249 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.27 -21.21 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 74.32 110.253 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 3.8 m -54.33 -27.01 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 44.14 110.364 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.0 t -68.8 -38.44 79.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 64.11 109.961 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' 2111 ' ' ILE . 10.9 t80 -66.97 -52.93 36.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.391 1.057 . . . . 73.2 111.042 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' 2075 ' ' GLY . 1.7 t-20 -59.02 -30.52 68.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 62.32 109.337 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -79.22 -40.02 31.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 64.04 110.348 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -53.01 -35.18 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 74.44 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.81 ' HD1' HG22 ' A' 2107 ' ' VAL . 55.4 m-85 -108.58 -17.21 14.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 74.2 110.877 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.76 -46.81 0.89 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.5 1.125 . . . . 43.24 111.049 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -39.3 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 0.822 . . . . 64.3 110.284 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' 2074 ' ' TYR . 16.6 m-20 -58.32 -60.12 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 71.41 109.264 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.762 HD11 ' HH2' ' A' 2027 ' ' TRP . 23.1 mt -52.58 -39.76 61.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.2 . . . . 73.35 109.366 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.85 -45.77 78.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 71.04 111.058 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.506 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.8 tt0 -66.31 -61.39 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 74.12 110.396 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.95 -42.05 65.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.606 1.191 . . . . 54.13 109.36 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.5 tt0 -57.57 -41.66 81.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 65.04 110.274 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -63.1 -38.36 90.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.44 110.276 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.601 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 94.4 m95 -72.71 -23.48 60.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 74.41 108.035 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 1.3 m -73.29 -58.7 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 73.25 108.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 6.2 ptt180 -66.86 -27.89 67.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 71.34 110.224 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -68.9 -44.54 72.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 71.12 109.306 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.4 OUTLIER -71.53 -37.65 71.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.591 1.182 . . . . 65.51 111.077 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.601 ' HE2' ' CE2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -65.0 -38.03 89.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 72.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -41.33 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 73.32 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' 2087 ' ' LYS . 8.5 t -81.52 -71.61 0.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.39 1.057 . . . . 64.2 109.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 106.68 90.73 2.18 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.473 1.108 . . . . 72.23 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.82 106.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 71.41 109.319 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.5 t -46.56 -40.9 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 72.21 109.288 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -49.57 -48.2 48.78 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.465 1.103 . . . . 73.43 109.307 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -65.51 -39.25 91.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 62.44 109.321 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.922 HD21 HG21 ' A' 2044 ' ' VAL . 4.1 tp -63.82 -46.03 86.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.396 1.06 . . . . 72.43 109.236 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -57.69 -43.13 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 64.43 110.373 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.4 ' O ' HD12 ' A' 2103 ' ' LEU . 0.0 OUTLIER -62.12 -41.25 98.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 74.44 110.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -65.09 -40.9 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 74.04 109.342 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.416 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.0 OUTLIER -64.64 -32.13 73.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 74.41 108.089 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -51.17 61.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 61.13 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.2 mp -54.7 -49.53 70.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 71.54 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -56.54 -51.68 67.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 70.22 111.089 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -47.44 -46.22 26.45 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.529 1.143 . . . . 63.41 110.995 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.21 -40.99 99.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 62.04 109.593 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.81 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.8 t -66.45 -57.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 62.2 109.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.156 ' CG ' HD22 ' A' 2031 ' ' LEU . 32.4 m-85 -62.57 -29.12 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 73.22 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.6 ttm180 -74.9 -30.05 61.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 74.43 110.196 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -51.13 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.12 110.353 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.704 HG23 ' OH ' ' A' 2074 ' ' TYR . 14.4 pt -47.55 -29.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 71.11 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 45.1 t -86.1 -51.23 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 73.44 109.968 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 74.52 109.334 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.882 HD23 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.24 -0.652 . . . . 74.04 109.24 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.882 ' H ' HD23 ' A' 2022 ' ' LEU . 10.7 m0 -47.89 -43.75 28.94 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.098 . . . . 74.54 108.034 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.6 m80 -47.53 -23.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 61.34 109.517 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.0 tt0 -71.01 -35.8 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 70.3 110.234 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.499 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.1 OUTLIER -74.48 -31.53 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 64.42 110.994 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.771 ' HH2' HD11 ' A' 2078 ' ' LEU . 72.7 m95 -74.01 -37.61 64.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 73.2 108.026 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' 2032 ' ' GLU . 1.7 t60 -68.88 -56.74 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.13 109.577 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 2.2 pp20? -69.47 -36.37 76.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 62.15 110.408 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' 2026 ' ' MET . . . -58.52 -65.06 3.77 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.431 1.082 . . . . 65.24 110.989 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.16 HD22 ' CG ' ' A' 2108 ' ' PHE . 2.7 tp -61.36 -30.53 70.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 73.32 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' 2028 ' ' HIS . 6.9 mm-40 -53.32 -52.14 60.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.32 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.08 -51.15 16.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 74.21 110.412 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -51.42 -42.66 61.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 62.13 109.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 79.3 p -72.34 -48.91 38.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 43.51 110.062 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -50.31 -51.88 41.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 73.34 110.318 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.496 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 3.9 pp -68.29 -46.88 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.068 . . . . 70.4 109.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.731 ' HD1' HG12 ' A' 2044 ' ' VAL . 27.7 t80 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 73.32 110.991 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.263 -0.643 . . . . 72.34 109.263 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.839 HG11 ' CD1' ' A' 2097 ' ' LEU . 32.1 m -65.37 -12.42 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 31.43 109.276 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.66 -39.09 49.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.508 1.13 . . . . 74.3 109.251 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.849 ' O ' HG23 ' A' 2050 ' ' VAL . . . -55.5 -44.32 85.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 51.24 111.056 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.495 ' O ' ' HG ' ' A' 2051 ' ' LEU . 30.7 ttp -65.54 -55.54 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 64.04 110.923 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.588 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 31.2 m-85 -50.41 -44.99 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 61.23 110.999 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.5 pp20? -75.51 -16.52 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 71.43 110.337 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' 2046 ' ' GLY . 3.9 t -85.1 -45.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.557 1.16 . . . . 72.31 109.35 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.859 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -76.93 -42.58 38.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 75.04 109.294 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.6 OUTLIER -36.94 -55.04 1.68 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 44.25 110.339 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.584 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -75.03 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 63.33 111.055 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' 2054 ' ' LEU . 0.1 OUTLIER -48.85 -56.15 9.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 75.11 109.262 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' 2051 ' ' LEU . 56.6 m170 -60.05 -52.35 65.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 73.11 109.658 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.55 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 73.41 109.317 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.553 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.23 -36.88 32.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 65.13 111.005 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.607 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -69.93 -31.67 69.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 74.03 111.053 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.53 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 72.42 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.8 ptp180 -71.2 -20.99 62.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.53 110.399 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.28 80.34 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 73.4 111.063 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 72.25 110.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.709 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -145.93 -76.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.52 110.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.709 HG23 ' O ' ' A' 2063 ' ' GLN . 2.0 p -160.58 -169.05 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 71.13 110.457 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' 2065 ' ' LEU . 0.3 OUTLIER -66.69 -28.1 68.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 64.21 109.268 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.27 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 73.44 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.553 ' HG2' ' CH2' ' A' 2023 ' ' TRP . 3.3 tp10 -76.55 -18.47 58.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 74.22 110.279 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 15.7 m -63.19 -35.85 81.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.24 110.422 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.5 m -70.76 -31.64 68.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.11 109.986 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.553 ' HE2' HG22 ' A' 2111 ' ' ILE . 32.0 t80 -66.18 -52.68 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 65.41 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.505 ' O ' ' CA ' ' A' 2075 ' ' GLY . 28.9 t-20 -63.5 -29.12 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 61.45 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.6 -53.2 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 73.15 110.371 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.0 -46.44 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 61.13 109.241 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.58 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.5 m-85 -97.8 -14.98 20.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 75.3 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.44 -39.42 1.15 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 43.2 111.043 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -51.74 9.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.376 0.692 . . . . 71.12 110.248 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.05 -54.15 43.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 74.41 109.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.771 HD11 ' HH2' ' A' 2027 ' ' TRP . 16.9 mt -52.95 -36.59 60.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 73.32 109.295 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 ttp -63.16 -47.24 83.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.15 110.94 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.8 tt0 -64.38 -58.54 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.635 1.209 . . . . 74.02 110.361 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.751 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.12 -42.13 65.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.23 109.238 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.97 -39.33 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 74.13 110.309 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -37.51 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.22 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.549 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.7 m95 -68.21 -33.88 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.015 -1.105 . . . . 63.54 108.015 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.95 -55.81 12.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 73.24 108.259 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.76 -44.22 86.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 72.53 110.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.549 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.48 -34.68 75.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 62.13 109.198 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.561 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.4 OUTLIER -74.92 -42.66 57.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 72.34 111.081 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.489 ' HE1' ' CG ' ' A' 2048 ' ' PHE . 1.3 mtt -62.35 -32.34 73.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.11 110.956 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -48.6 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 64.15 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.9 t -77.2 -67.41 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 75.31 109.946 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 101.71 108.13 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.422 1.076 . . . . 54.35 111.019 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.46 120.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 74.03 109.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 t -56.72 -40.07 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.112 . . . . 65.13 109.31 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 15.1 tttt -49.41 -46.6 47.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 75.33 109.253 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -37.15 81.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 73.51 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.839 ' CD1' HG11 ' A' 2044 ' ' VAL . 0.4 OUTLIER -62.27 -43.72 98.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 63.5 109.293 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 27.8 m -62.89 -47.04 85.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 73.11 110.368 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.0 OUTLIER -53.61 -51.5 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 64.33 110.215 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.3 -44.05 95.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.53 109.315 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.486 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 2.3 m95 -60.54 -30.74 69.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 124.481 1.113 . . . . 75.23 108.081 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.83 -51.0 60.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 74.11 109.319 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.751 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 8.0 mp -53.76 -53.35 53.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 65.01 109.397 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -54.04 -56.17 20.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.22 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.7 OUTLIER -48.17 -35.87 12.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 62.12 110.98 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . 0.472 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.0 OUTLIER -64.68 -44.66 89.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 63.35 109.59 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -78.07 -37.26 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 72.3 109.307 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.16 ' CG ' HD22 ' A' 2031 ' ' LEU . 11.0 m-85 -71.24 -34.61 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.085 . . . . 63.14 111.039 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -80.86 -28.35 36.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 74.53 110.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . 0.445 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -70.68 -50.79 32.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 62.41 110.33 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.585 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 9.2 pt -42.68 -32.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 64.23 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 15.7 p -87.85 -54.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 52.25 109.949 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 73.45 109.299 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.539 HD23 ' ND1' ' A' 2024 ' ' HIS . 3.2 tp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.231 -0.655 . . . . 74.11 109.231 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.59 ' CE3' ' SD ' ' A' 2058 ' ' MET . 5.4 m0 -73.81 -51.42 16.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 74.22 108.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.539 ' ND1' HD23 ' A' 2022 ' ' LEU . 4.0 m80 -47.51 -22.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 75.23 109.693 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' 2029 ' ' GLU . 8.7 tp10 -72.95 -35.59 67.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 74.1 110.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -75.18 -32.05 61.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 52.01 111.046 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.745 ' HH2' HD11 ' A' 2078 ' ' LEU . 70.8 m95 -72.55 -49.8 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.016 -1.105 . . . . 74.4 108.016 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.08 -58.39 8.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 70.11 109.677 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.6 pp20? -68.29 -35.15 77.42 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.419 1.074 . . . . 74.21 110.416 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.81 -64.52 4.29 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.503 1.127 . . . . 44.13 111.13 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.127 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.9 tp -59.9 -32.6 70.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 71.33 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 12.5 mm-40 -53.29 -48.6 68.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.03 110.294 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -74.63 -50.18 18.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 73.45 110.19 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.609 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -51.46 -39.96 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 52.13 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' 2031 ' ' LEU . 3.2 t -76.99 -49.54 15.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 43.4 109.987 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -46.44 50.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 74.45 110.365 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' 2034 ' ' ALA . 4.4 pp -70.64 -46.11 63.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 63.33 109.245 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.531 ' HD1' HG12 ' A' 2044 ' ' VAL . 41.8 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 74.32 111.036 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.506 ' O ' ' CD1' ' A' 2037 ' ' LEU . 1.9 m-20 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.33 -0.618 . . . . 73.12 109.33 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 1.089 HG11 HD21 ' A' 2097 ' ' LEU . 34.0 m -81.79 -12.85 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 63.15 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -33.85 64.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 72.24 109.246 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.793 ' O ' HG23 ' A' 2050 ' ' VAL . . . -70.44 -39.58 69.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.605 1.191 . . . . 73.34 111.048 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.609 ' HA ' ' HB1' ' A' 2034 ' ' ALA . 8.2 tmm? -64.88 -42.23 94.99 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.466 0.744 . . . . 74.11 111.016 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.609 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 11.9 m-85 -73.12 -38.32 66.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 71.34 111.039 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.539 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -76.38 -14.69 60.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.23 110.271 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.954 ' O ' HD22 ' A' 2054 ' ' LEU . 4.4 t -84.92 -42.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 73.34 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.589 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.7 -46.18 26.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 71.1 109.273 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.4 OUTLIER -35.3 -54.6 1.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 52.01 110.24 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.583 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.97 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.459 1.768 . . . . 64.21 110.962 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.11 -55.76 11.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 72.52 109.281 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 61.1 m170 -60.07 -51.63 68.79 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.551 1.157 . . . . 64.44 109.669 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.92 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 71.21 109.401 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.51 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.28 -37.29 46.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 73.14 111.056 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.59 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -69.57 -31.34 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 53.31 110.978 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.29 -63.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 73.31 110.212 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' 2056 ' ' ALA . 17.4 ptp180 -72.17 -17.7 61.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 72.5 110.303 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.64 75.79 0.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 61.12 110.978 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.411 1.743 . . . . 71.15 110.963 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -146.33 -70.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 64.43 110.169 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.499 HG23 ' H ' ' A' 2066 ' ' LYS . 7.9 t -161.84 -171.81 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 63.2 110.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -65.63 -34.68 78.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 61.41 109.29 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . 0.499 ' H ' HG23 ' A' 2064 ' ' THR . 7.1 mttp -62.63 -32.65 73.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 71.51 109.254 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.94 -19.84 28.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.051 . . . . 63.21 110.316 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 4.3 m -64.18 -34.53 78.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 65.32 110.349 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.5 t -71.29 -33.55 69.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 65.34 109.991 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.544 ' HE2' HG22 ' A' 2111 ' ' ILE . 5.4 t80 -63.45 -54.14 41.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.15 111.05 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 2.4 t30 -62.43 -28.75 70.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 72.53 109.373 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.65 -43.71 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 60.03 110.251 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -54.28 -44.9 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 73.54 109.186 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.1 m-85 -98.97 -9.09 24.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 65.42 110.935 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -44.33 -47.57 8.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 44.13 111.067 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -67.39 -27.38 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 63.51 110.363 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' 2074 ' ' TYR . 6.1 m-20 -80.77 -50.35 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 71.01 109.289 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.745 HD11 ' HH2' ' A' 2027 ' ' TRP . 9.3 mt -59.82 -41.54 91.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 72.43 109.33 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . 0.518 ' CG ' ' N ' ' A' 2080 ' ' GLU . 11.6 ptm -69.08 -42.55 76.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 73.02 111.043 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' 2079 ' ' MET . 1.4 tt0 -67.05 -56.55 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 74.51 110.241 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -55.22 -41.83 72.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 63.52 109.211 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.63 -42.64 79.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 65.12 110.289 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.443 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.92 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.379 1.049 . . . . 72.12 110.301 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.21 -34.73 78.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 74.23 108.052 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.609 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.9 t -60.66 -55.78 29.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 74.45 108.325 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -32.16 65.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 75.23 110.18 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' 2091 ' ' SER . 9.3 mttt -61.41 -49.93 74.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 73.42 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.45 ' O ' ' HA2' ' A' 2092 ' ' GLY . 5.0 t80 -72.59 -31.89 65.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 61.41 110.918 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.461 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -67.3 -36.74 82.14 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.535 1.147 . . . . 75.33 110.925 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 -57.03 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.173 . . . . 54.12 109.341 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.1 t -63.23 -63.94 1.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 71.14 110.031 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 100.29 77.66 1.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 55.12 110.959 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.49 116.89 6.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.795 . . . . 62.22 109.33 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' 2097 ' ' LEU . 3.0 t -54.97 -35.95 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 55.23 109.292 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -49.82 -51.6 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 73.33 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.24 109.225 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 1.089 HD21 HG11 ' A' 2044 ' ' VAL . 2.5 tp -63.62 -46.85 83.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 73.33 109.262 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.0 m -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.12 110.422 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 73.12 110.392 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.441 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -61.62 -39.89 92.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 71.21 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.413 ' CE2' ' HG3' ' A' 2047 ' ' MET . 0.5 OUTLIER -68.42 -30.43 69.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.956 -1.127 . . . . 62.22 107.956 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.34 -50.38 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.34 109.27 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.706 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 13.7 mt -54.93 -51.67 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 64.04 109.359 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' 2100 ' ' ALA . 19.0 m-85 -53.57 -56.27 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 71.41 111.048 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.507 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.54 -37.14 25.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.25 110.995 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.04 79.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 74.52 109.558 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -72.3 -48.45 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 70.21 109.345 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.127 ' CG ' HD22 ' A' 2031 ' ' LEU . 14.5 m-85 -60.99 -29.8 69.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 74.41 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.5 tpt180 -77.14 -39.35 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.34 110.231 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -51.44 69.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 74.4 110.371 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.544 HG22 ' HE2' ' A' 2070 ' ' PHE . 14.5 pt -46.79 -27.84 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 65.03 109.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 2.0 p -93.93 -50.62 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 55.41 110.025 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' 2113 ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 73.14 109.253 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.839 HD13 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.388 -0.597 . . . . 73.35 109.388 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.839 ' H ' HD13 ' A' 2022 ' ' LEU . 1.4 m0 -57.59 -48.35 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.951 -1.129 . . . . 73.32 107.951 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.725 ' ND1' HD12 ' A' 2022 ' ' LEU . 11.8 m80 -47.76 -30.46 3.94 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.567 1.167 . . . . 64.52 109.652 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' 2029 ' ' GLU . 4.5 tp10 -69.67 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.134 . . . . 70.32 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.3 OUTLIER -70.97 -39.43 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 74.22 111.007 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.745 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.3 m95 -65.5 -50.98 63.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.55 107.912 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -52.9 -54.06 40.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.3 109.571 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' 2028 ' ' HIS . 4.1 mm-40 -67.29 -43.54 81.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 72.02 110.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.476 ' HA3' ' CD2' ' A' 2054 ' ' LEU . . . -53.86 -65.23 3.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 75.03 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.119 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.3 tp -58.75 -30.61 67.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 0.793 . . . . 75.03 109.29 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -54.03 -50.92 65.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 72.21 110.396 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.05 -51.57 13.2 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.525 1.14 . . . . 64.43 110.263 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -52.06 -43.96 64.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.411 1.069 . . . . 42.35 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' 2031 ' ' LEU . 60.1 p -72.36 -51.26 21.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 72.34 110.068 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -50.01 53.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 75.22 110.326 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' 2038 ' ' TYR . 4.2 pp -67.91 -45.08 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 70.52 109.302 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.648 ' N ' HD12 ' A' 2037 ' ' LEU . 46.7 t80 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 74.23 110.981 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.435 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 11.5 m-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.629 . . . . 74.1 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.965 HG11 HD21 ' A' 2097 ' ' LEU . 30.8 m -81.95 -26.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 71.33 109.3 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.25 -39.35 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.02 109.26 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' 2050 ' ' VAL . . . -61.74 -52.09 53.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.427 1.079 . . . . 73.12 111.004 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.469 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 5.9 tmm? -52.6 -41.35 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 71.32 110.988 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.638 ' CE2' ' CE2' ' A' 2088 ' ' TYR . 31.5 m-85 -67.7 -38.09 83.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 70.44 111.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.517 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.2 mt-10 -75.16 -15.1 60.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.384 1.053 . . . . 71.53 110.369 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.54 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.6 t -84.07 -45.58 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.614 1.196 . . . . 60.02 109.368 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.645 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -75.92 -43.48 44.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 74.31 109.264 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.497 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 1.6 mt-10 -35.16 -57.03 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 74.02 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.54 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.93 -46.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.438 1.757 . . . . 73.41 111.022 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.518 ' HG ' ' CG ' ' A' 2026 ' ' MET . 0.2 OUTLIER -49.63 -56.12 11.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.561 1.163 . . . . 73.35 109.289 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 47.2 m170 -60.25 -52.54 64.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 73.51 109.556 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.56 -51.03 39.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 73.43 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.477 ' CE ' ' HG3' ' A' 2026 ' ' MET . 0.0 OUTLIER -51.71 -39.93 59.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 63.5 111.068 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.672 ' CE ' ' CD2' ' A' 2023 ' ' TRP . 0.4 OUTLIER -73.41 -25.87 60.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 70.35 110.966 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.7 mt-10 -77.85 -63.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.649 1.218 . . . . 74.5 110.364 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' 2056 ' ' ALA . 19.1 ptt180 -68.02 -27.14 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.13 110.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -131.77 91.09 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 51.04 111.002 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.496 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -75.04 -96.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.812 . . . . 73.14 110.925 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' 2062 ' ' PRO . 0.0 OUTLIER 177.39 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.459 1.099 . . . . 72.42 110.273 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' 2065 ' ' LEU . 2.1 t -163.49 177.4 8.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.15 110.457 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -58.7 -26.56 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.629 1.206 . . . . 73.14 109.33 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -67.99 -52.78 31.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 71.04 109.312 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -68.8 -23.76 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.345 1.028 . . . . 61.15 110.357 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 27.8 m -55.11 -26.95 41.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 73.22 110.449 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 33.9 t -74.05 -33.75 63.82 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.458 1.099 . . . . 65.1 109.916 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.419 ' CE2' ' CE3' ' A' 2023 ' ' TRP . 5.1 t80 -72.39 -53.52 12.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 75.11 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' 2075 ' ' GLY . 18.3 t-20 -54.84 -31.7 59.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.607 1.192 . . . . 74.35 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -41.28 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 54.55 110.381 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.45 89.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.11 109.24 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.509 ' CD2' ' HB ' ' A' 2107 ' ' VAL . 2.0 m-85 -91.38 -19.72 22.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 75.13 110.994 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' 2074 ' ' TYR . . . -34.82 -48.87 0.73 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 72.41 110.978 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -72.81 -43.61 62.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 64.34 110.355 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 2074 ' ' TYR . 11.9 m-20 -56.21 -65.61 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.5 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.745 HD11 ' HH2' ' A' 2027 ' ' TRP . 8.0 mt -52.54 -33.59 46.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.25 109.389 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' 2075 ' ' GLY . 1.9 mtt -57.58 -47.32 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.42 111.001 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -66.49 -56.64 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 74.42 110.407 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -57.0 -41.69 78.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 75.21 109.304 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -62.05 -35.02 77.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.311 1.007 . . . . 53.35 110.358 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.517 ' HA ' ' HD3' ' A' 2086 ' ' ARG . 0.0 OUTLIER -67.51 -37.47 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 65.41 110.276 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.405 ' HA ' ' HB3' ' A' 2087 ' ' LYS . 99.1 m95 -76.11 -21.0 57.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 72.11 107.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 3.3 t -70.68 -60.34 2.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 73.31 108.317 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.517 ' HD3' ' HA ' ' A' 2083 ' ' GLU . 2.6 ptt-85 -66.26 -27.36 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 70.44 110.343 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -69.32 -35.66 76.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.579 1.175 . . . . 73.43 109.32 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.638 ' CE2' ' CE2' ' A' 2048 ' ' PHE . 6.9 t80 -73.22 -46.3 51.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 63.5 111.013 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -33.93 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 73.22 111.01 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -49.56 7.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 72.4 109.297 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.2 t -78.79 -69.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 75.41 110.03 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.26 92.06 2.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 70.5 111.064 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.3 130.74 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 65.43 109.209 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -64.93 -50.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 75.02 109.365 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -49.3 -48.57 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 74.21 109.364 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -44.46 90.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 72.02 109.282 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.965 HD21 HG11 ' A' 2044 ' ' VAL . 3.0 tp -53.56 -49.99 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 74.42 109.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 55.0 m -59.68 -39.09 83.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 75.22 110.341 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.53 -47.81 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.14 110.289 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.26 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 50.2 109.306 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -31.32 66.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.571 1.169 . . . . 74.15 108.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -50.69 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 70.32 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.722 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 16.8 mt -55.7 -50.36 70.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 55.52 109.264 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' 2107 ' ' VAL . 9.4 m-85 -54.25 -55.28 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 55.3 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.13 -39.85 30.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 72.31 110.963 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -47.76 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 72.21 109.631 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' 2103 ' ' LEU . 0.6 OUTLIER -71.35 -48.51 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 63.43 109.293 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.119 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.0 m-85 -59.75 -31.06 69.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 73.15 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' 2105 ' ' TYR . 14.0 ttp180 -77.95 -35.01 50.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 73.11 110.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -52.11 63.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.416 1.072 . . . . 73.41 110.331 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.595 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 12.6 pt -44.61 -34.7 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 51.45 109.253 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.6 OUTLIER -79.73 -53.41 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 52.11 109.939 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' 2112 ' ' SER . 8.6 mptt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 71.13 109.375 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.573 HD13 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.304 -0.628 . . . . 72.1 109.304 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.573 ' H ' HD13 ' A' 2022 ' ' LEU . 5.7 m0 -51.98 -54.74 26.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.452 1.095 . . . . 72.21 108.1 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.8 m170 -47.35 -22.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 75.22 109.578 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' 2022 ' ' LEU . 6.4 tp10 -72.3 -38.67 68.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 63.11 110.331 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.542 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.92 -31.53 66.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.143 . . . . 74.54 111.053 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.769 ' HH2' HD11 ' A' 2078 ' ' LEU . 57.0 m95 -69.25 -50.54 46.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 75.44 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -56.36 -53.73 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 71.3 109.693 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.9 mm-40 -65.51 -38.56 90.05 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.51 1.131 . . . . 73.11 110.266 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -55.16 -65.32 3.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.375 1.047 . . . . 64.03 110.903 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.046 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.9 mt -58.12 -31.08 66.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 74.51 109.36 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.5 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.87 -50.54 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 71.25 110.292 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.5 ' N ' ' HG2' ' A' 2032 ' ' GLU . 2.7 tt0 -73.57 -45.79 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 74.34 110.326 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.803 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -55.4 -49.43 72.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 43.2 109.262 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 22.8 p -60.4 -43.81 96.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 72.55 109.922 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -55.96 -37.51 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.03 110.337 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.597 HD13 ' C ' ' A' 2046 ' ' GLY . 2.4 mt -71.61 -34.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.386 1.054 . . . . 63.33 109.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 84.0 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 73.11 111.012 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.526 ' ND2' ' CG ' ' A' 2045 ' ' LYS . 2.2 t30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.241 -0.652 . . . . 70.23 109.241 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.573 HG12 ' CD2' ' A' 2048 ' ' PHE . 6.4 t -68.15 -21.64 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 73.35 109.294 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.526 ' CG ' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -52.9 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 75.12 109.322 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.724 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.97 -54.69 27.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.409 1.068 . . . . 71.41 111.059 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.803 ' CG ' ' HB1' ' A' 2034 ' ' ALA . 12.5 tmm? -54.72 -49.05 71.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.426 0.721 . . . . 74.43 111.006 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.609 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.6 m-85 -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 74.33 110.949 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.8 mm-40 -76.24 -13.74 60.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 72.44 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' 2046 ' ' GLY . 24.2 t -83.28 -44.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.652 1.22 . . . . 54.13 109.358 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.656 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.83 -45.47 28.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 74.02 109.295 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.5 mm-40 -34.5 -54.63 0.92 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.595 1.184 . . . . 74.43 110.305 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.8 Cg_endo -75.1 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.587 1.835 . . . . 64.42 110.915 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.672 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.29 -55.76 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.331 1.019 . . . . 73.24 109.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 52.2 m170 -59.85 -51.88 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 74.41 109.562 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.16 -49.62 63.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.512 1.133 . . . . 53.32 109.344 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.63 -37.63 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 63.33 110.974 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.534 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -68.15 -35.83 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 64.12 110.967 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.99 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 64.42 110.33 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.5 ptm85 -69.97 -22.04 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 71.55 110.335 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.93 80.67 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 72.14 111.042 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -161.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.579 1.831 . . . . 70.12 111.038 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.416 ' O ' ' HB ' ' A' 2064 ' ' THR . 2.8 mm-40 -142.58 -68.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.542 1.152 . . . . 72.43 110.38 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.589 HG23 ' HB2' ' A' 2066 ' ' LYS . 5.1 t -176.51 172.29 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 73.45 110.381 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.1 OUTLIER -47.77 -29.47 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 62.41 109.228 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . 0.589 ' HB2' HG23 ' A' 2064 ' ' THR . 1.3 mttp -67.05 -51.53 53.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 74.35 109.341 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.551 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 7.7 mm-40 -70.73 -25.05 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.54 110.281 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 18.1 m -54.53 -34.33 61.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 74.21 110.37 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -41.54 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 73.44 110.089 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.506 ' HE2' HG22 ' A' 2111 ' ' ILE . 9.2 t80 -61.94 -53.64 52.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 72.45 110.999 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 4.7 t30 -58.42 -30.65 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 71.03 109.32 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -79.56 -35.34 39.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 52.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -58.98 -27.97 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 73.4 109.25 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.783 ' HD1' HG22 ' A' 2107 ' ' VAL . 56.1 m-85 -114.33 -18.02 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 73.13 110.993 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.45 -43.57 0.54 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.401 1.063 . . . . 75.05 110.921 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -41.91 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 75.03 110.343 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.2 m-20 -57.92 -61.89 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 70.24 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.769 HD11 ' HH2' ' A' 2027 ' ' TRP . 29.6 mt -51.78 -35.84 45.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 64.12 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.41 81.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 63.04 111.033 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.498 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 39.7 tt0 -64.33 -60.05 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 70.41 110.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.527 ' HB1' ' CZ ' ' A' 2104 ' ' TYR . . . -52.37 -41.95 63.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 31.15 109.369 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.3 tt0 -59.02 -39.17 81.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 72.21 110.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.519 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.08 -35.71 82.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 75.5 110.182 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.82 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.1 m95 -74.88 -24.06 58.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.975 -1.12 . . . . 74.43 107.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.609 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -69.75 -58.93 3.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 74.22 108.349 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.5 OUTLIER -64.8 -27.78 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.41 110.307 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.452 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.57 -35.07 72.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 71.51 109.376 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . . . . . . . . . 16.0 t80 -74.82 -51.32 14.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 73.33 110.991 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.6 mtt -59.69 -34.29 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 73.55 110.941 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.456 ' O ' ' HD3' ' A' 2090 ' ' LYS . 0.0 OUTLIER -68.49 -59.02 3.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 71.12 109.233 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.76 70.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 63.13 110.057 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -118.6 -150.39 8.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.585 1.178 . . . . 52.04 110.955 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t30 -147.66 159.45 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.395 0.703 . . . . 63.32 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.93 -41.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 75.34 109.207 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -49.48 50.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 53.32 109.289 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -42.48 94.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 65.1 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' 2097 ' ' LEU . 0.3 OUTLIER -58.6 -45.05 89.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 62.12 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 22.6 m -59.5 -46.82 87.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 72.21 110.399 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.408 ' NE2' HD11 ' A' 2103 ' ' LEU . 0.0 OUTLIER -55.07 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 61.32 110.213 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.58 -41.57 77.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 64.33 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 1.046 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -65.33 -33.99 77.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.879 -1.156 . . . . 71.12 107.879 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -50.34 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 64.25 109.253 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.1 mp -59.45 -49.19 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.51 109.282 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.527 ' CZ ' ' HB1' ' A' 2081 ' ' ALA . 11.3 m-85 -59.25 -50.22 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 65.12 110.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.52 -48.17 38.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 64.32 110.965 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.045 . . . . 75.2 109.567 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.783 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.8 t -62.51 -56.61 16.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 64.11 109.243 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.752 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 36.8 m-85 -65.33 -28.23 69.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 74.14 111.001 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -25.34 57.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.383 1.052 . . . . 72.43 110.282 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -51.46 10.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.3 110.319 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.578 HG23 ' OH ' ' A' 2074 ' ' TYR . 13.6 pt -44.71 -30.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 75.53 109.292 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 6.1 t -86.24 -54.58 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 53.32 109.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 61.05 109.246 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.542 HD12 ' H ' ' A' 2023 ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.31 -0.626 . . . . 73.11 109.31 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.542 ' H ' HD12 ' A' 2022 ' ' LEU . 4.9 m0 -69.89 -51.23 34.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 73.32 107.973 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.9 m80 -46.11 -23.21 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 74.13 109.613 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' 2029 ' ' GLU . 3.4 tt0 -70.41 -40.55 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 71.14 110.271 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.574 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.1 OUTLIER -69.36 -32.37 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 53.14 110.962 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.804 ' HH2' HD11 ' A' 2078 ' ' LEU . 61.2 m95 -68.2 -50.68 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.957 -1.127 . . . . 74.34 107.957 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -60.94 -53.17 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 74.53 109.695 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' 2025 ' ' GLU . 4.0 mm-40 -58.79 -44.92 90.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.22 110.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -51.33 -63.78 4.36 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.462 1.101 . . . . 71.22 111.068 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.046 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.4 mt -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 0.702 . . . . 74.54 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -55.13 31.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 70.52 110.317 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.73 -46.42 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 72.12 110.353 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.672 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -52.51 -48.96 65.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 73.11 109.283 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 84.0 p -62.12 -41.75 98.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 73.31 110.031 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -35.24 69.74 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.43 1.081 . . . . 72.34 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.818 HD13 ' C ' ' A' 2046 ' ' GLY . 1.5 mt -70.69 -45.63 64.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 60.11 109.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.422 ' HD1' HG22 ' A' 2044 ' ' VAL . 48.7 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 74.21 111.078 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.266 -0.642 . . . . 74.45 109.266 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.794 HG12 ' CE2' ' A' 2048 ' ' PHE . 41.8 t -64.15 -21.46 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.498 1.123 . . . . 73.22 109.282 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.29 -41.19 60.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.37 1.044 . . . . 70.4 109.249 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.884 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.83 -54.49 28.06 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 34.43 111.078 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.619 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 10.6 tmm? -57.13 -51.82 67.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 73.14 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.794 ' CE2' HG12 ' A' 2044 ' ' VAL . 9.4 m-85 -51.42 -45.18 62.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 72.1 111.015 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 7.5 pt-20 -74.26 -15.09 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 62.05 110.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' 2046 ' ' GLY . 46.1 t -85.64 -44.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.327 1.017 . . . . 65.33 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -77.07 -42.54 37.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 73.31 109.276 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' 2048 ' ' PHE . 2.8 mt-10 -37.97 -55.15 2.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 73.43 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.1 Cg_endo -75.04 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.389 1.731 . . . . 64.24 110.981 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.741 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -47.77 -55.55 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.22 109.312 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 67.6 m170 -60.43 -52.57 64.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 60.33 109.653 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.12 -51.29 58.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 24.14 109.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.528 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.14 -38.56 39.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 44.12 110.977 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.574 ' HE3' ' CE ' ' A' 2026 ' ' MET . 3.5 mmt -70.19 -30.5 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.387 1.054 . . . . 65.4 110.958 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.8 mt-10 -77.98 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 62.11 110.355 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' 2056 ' ' ALA . 9.7 ptm180 -72.57 -19.88 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 73.53 110.353 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.26 84.28 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 72.31 110.938 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.05 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.457 1.767 . . . . 65.11 110.968 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -68.41 0.33 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.566 1.166 . . . . 54.43 110.354 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' 2065 ' ' LEU . 1.4 t -175.21 174.18 2.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.451 1.095 . . . . 73.5 110.352 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.3 OUTLIER -57.49 -28.54 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 70.11 109.301 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 6.1 tptt -68.01 -35.61 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 65.22 109.335 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.6 -19.3 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 62.54 110.33 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 2.6 m -54.34 -36.29 63.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 65.11 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -37.03 86.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 72.41 110.084 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.577 ' HE2' HG21 ' A' 2111 ' ' ILE . 0.6 OUTLIER -71.18 -52.09 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.1 110.958 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.505 ' N ' ' CD1' ' A' 2070 ' ' PHE . 1.6 t-20 -54.08 -32.99 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 71.35 109.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -79.2 -42.31 26.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.11 110.222 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -49.08 -39.16 26.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 71.14 109.292 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.781 ' HD1' HG22 ' A' 2107 ' ' VAL . 54.5 m-85 -106.07 -18.02 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.52 110.977 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -36.7 -45.73 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 73.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -42.73 23.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 65.34 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.24 -60.91 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.23 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.804 HD11 ' HH2' ' A' 2027 ' ' TRP . 21.6 mt -51.88 -36.25 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 74.34 109.201 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -48.22 82.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 64.13 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.33 110.311 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.53 -41.91 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 62.14 109.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.3 tp60 -55.55 -43.27 75.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 73.4 110.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -35.84 81.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.34 110.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.551 ' CZ3' ' NZ ' ' A' 2087 ' ' LYS . 91.4 m95 -64.7 -33.48 76.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.02 107.97 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 7.7 t -67.44 -56.62 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.43 108.236 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.14 -37.47 66.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 73.53 110.253 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.551 ' NZ ' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -63.85 -40.86 97.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.15 109.335 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.586 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.5 OUTLIER -73.66 -37.8 65.17 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.536 1.147 . . . . 60.2 111.023 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.672 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.3 mtt -65.0 -33.43 76.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 64.22 111.035 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.0 -42.92 10.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.664 1.227 . . . . 74.11 109.192 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 2.7 t -83.42 -69.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 64.12 110.011 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.17 89.56 2.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 53.0 111.038 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -159.4 120.07 3.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.41 109.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -50.76 -39.45 18.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 71.01 109.303 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -51.63 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 62.51 109.33 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -36.92 85.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 74.01 109.215 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.718 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -63.26 -48.56 77.65 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.5 1.125 . . . . 53.13 109.342 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 54.9 m -57.45 -41.39 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 73.33 110.439 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.65 -45.41 94.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 53.13 110.228 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.56 82.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 62.33 109.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.624 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.1 OUTLIER -62.94 -30.39 71.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 72.22 107.961 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -50.57 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 74.3 109.324 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.773 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 10.7 mt -57.07 -45.46 83.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 73.31 109.334 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.79 -46.77 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 73.32 111.043 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.489 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.51 -49.94 33.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 75.14 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -62.53 -43.55 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 71.43 109.665 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.781 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.6 t -62.83 -56.94 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.418 1.074 . . . . 53.12 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.046 ' CG ' HD11 ' A' 2031 ' ' LEU . 23.2 m-85 -64.09 -27.9 69.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 73.55 110.978 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' 2105 ' ' TYR . 14.9 ttm-85 -74.2 -25.73 59.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 73.35 110.353 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -52.01 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 62.35 110.272 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.728 HG23 ' OH ' ' A' 2074 ' ' TYR . 0.5 OUTLIER -56.48 -19.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 65.51 109.255 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -46.01 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 64.03 109.933 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 72.55 109.25 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.327 -0.62 . . . . 64.15 109.327 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.603 ' CD1' ' HE2' ' A' 2058 ' ' MET . 1.4 m0 -71.56 -51.82 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 75.42 107.916 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.4 m80 -47.01 -24.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 70.41 109.554 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' 2023 ' ' TRP . 31.5 tt0 -70.73 -35.39 72.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 74.22 110.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.532 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.1 -32.57 65.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 72.44 110.968 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.791 ' HH2' HD11 ' A' 2078 ' ' LEU . 62.6 m95 -69.03 -50.36 49.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.35 107.965 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -54.61 42.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 62.43 109.609 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.63 -43.95 87.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 70.22 110.323 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -55.31 -64.03 4.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 52.4 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.141 HD22 ' CG ' ' A' 2108 ' ' PHE . 5.3 tp -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 73.42 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.19 -53.36 54.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 72.22 110.292 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -51.0 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 52.15 110.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.823 ' HB2' HG11 ' A' 2050 ' ' VAL . . . -54.15 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 73.05 109.281 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' 2031 ' ' LEU . 85.1 p -57.78 -48.97 78.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 64.44 110.062 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -52.74 -37.53 59.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 65.42 110.24 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.484 HD13 ' HA3' ' A' 2046 ' ' GLY . 6.6 mt -71.57 -33.62 69.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 74.22 109.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.336 1.022 . . . . 73.12 110.952 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.302 -0.629 . . . . 65.15 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.7 t -45.6 -31.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 72.42 109.275 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.504 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -52.16 -36.74 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.621 1.201 . . . . 74.41 109.393 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -59.64 -53.83 42.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 70.32 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.906 ' O ' HD22 ' A' 2051 ' ' LEU . 7.2 tmm? -52.25 -47.66 65.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 0.73 . . . . 74.41 111.039 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.704 ' CD2' ' HE3' ' A' 2089 ' ' MET . 13.9 m-85 -63.8 -36.0 82.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 73.33 110.999 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.545 ' O ' ' CD ' ' A' 2053 ' ' PRO . 1.8 mm-40 -74.22 -15.13 61.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 70.15 110.231 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.823 HG11 ' HB2' ' A' 2034 ' ' ALA . 0.5 OUTLIER -83.82 -44.84 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 71.31 109.362 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' 2047 ' ' MET . 0.4 OUTLIER -77.15 -45.93 25.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 43.31 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.1 OUTLIER -34.31 -54.62 0.88 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 65.33 110.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.573 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.02 -51.52 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 63.5 111.035 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.532 HD22 ' SD ' ' A' 2026 ' ' MET . 70.1 mt -50.05 -56.53 10.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.509 1.131 . . . . 62.21 109.341 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' 2051 ' ' LEU . 28.9 m170 -58.29 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 74.32 109.584 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.79 -48.45 63.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.517 1.136 . . . . 54.14 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.504 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.7 -37.86 52.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 74.44 111.013 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.603 ' HE2' ' CD1' ' A' 2023 ' ' TRP . 0.3 OUTLIER -70.68 -35.33 72.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 64.11 110.956 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.4 mm-40 -69.02 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 74.54 110.366 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' 2062 ' ' PRO . 34.2 ptt180 -71.48 -34.54 70.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.36 1.038 . . . . 73.21 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.5 78.59 0.28 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 70.32 111.034 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.93 -94.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.783 . . . . 65.5 111.015 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.474 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.8 OUTLIER 176.09 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 70.12 110.32 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.441 HG23 ' H ' ' A' 2066 ' ' LYS . 3.0 t -176.65 176.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 72.32 110.361 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.422 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.2 OUTLIER -48.6 -26.22 2.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 73.2 109.293 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . 0.441 ' H ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -69.74 -52.36 26.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 62.14 109.353 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.474 ' HG3' ' CB ' ' A' 2063 ' ' GLN . 23.3 mm-40 -72.91 -19.83 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 62.33 110.269 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.8 m -54.09 -34.58 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 54.0 110.427 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -34.98 63.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.066 . . . . 74.45 109.957 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.642 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 4.4 t80 -66.6 -54.24 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 75.32 110.968 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 2075 ' ' GLY . 5.6 t-20 -56.86 -30.34 63.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 74.54 109.311 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.55 -35.54 63.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 63.22 110.304 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.75 77.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 72.43 109.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.642 ' CE2' ' CE1' ' A' 2070 ' ' PHE . 27.3 m-85 -93.75 -19.94 20.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 72.43 111.028 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.42 -40.92 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 40.41 110.983 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -80.92 -55.49 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.383 0.696 . . . . 74.3 110.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.33 -59.5 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 62.21 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.791 HD11 ' HH2' ' A' 2027 ' ' TRP . 10.2 mt -52.19 -37.14 53.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.03 109.346 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -55.92 -48.01 76.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 71.34 111.012 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.52 -54.8 30.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 1.163 . . . . 71.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -58.25 -41.36 84.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 65.41 109.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -34.19 73.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.487 1.117 . . . . 75.52 110.294 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -70.67 -38.14 73.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.33 110.412 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.0 m95 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 75.33 107.957 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 17.2 m -75.06 -58.59 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 62.04 108.215 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.525 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 3.4 ptt85 -66.29 -27.47 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 73.33 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.56 -48.35 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 64.52 109.277 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.531 ' CZ ' HD22 ' A' 2097 ' ' LEU . 6.0 t80 -67.31 -34.59 77.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 61.24 111.018 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.704 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -69.73 -35.91 75.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 65.11 110.918 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -68.04 -58.16 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 71.44 109.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.22 67.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.41 109.97 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -114.76 -141.3 7.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.409 1.068 . . . . 64.22 111.035 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.13 162.92 36.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 65.43 109.236 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.46 -42.31 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 64.33 109.338 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -49.76 -34.13 18.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 73.52 109.283 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' 2095 ' ' LYS . 12.9 m-20 -75.93 -43.72 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 70.2 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' 2097 ' ' LEU . 2.5 tp -60.68 -44.21 96.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.14 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -64.41 -44.14 92.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 65.35 110.383 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -54.91 -44.39 74.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 75.22 110.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' 2104 ' ' TYR . . . -63.84 -43.39 96.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 72.21 109.309 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' A' 2031 ' ' LEU . 1.1 m95 -59.8 -31.62 69.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 61.41 107.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -51.06 48.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 72.3 109.338 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 17.4 mt -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.341 1.026 . . . . 63.14 109.305 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.639 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 3.3 m-85 -57.41 -56.19 25.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.19 . . . . 71.12 110.973 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.549 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.84 -37.01 18.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 73.21 110.923 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -55.54 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.43 1.081 . . . . 70.34 109.612 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' 2104 ' ' TYR . 1.5 m -66.78 -45.92 86.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 62.42 109.339 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.141 ' CG ' HD22 ' A' 2031 ' ' LEU . 11.2 m-85 -63.09 -30.31 71.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 75.12 111.015 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' 2105 ' ' TYR . 3.5 ttt180 -80.04 -29.04 39.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 74.41 110.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -70.75 -52.32 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 74.12 110.319 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 5.6 pt -44.09 -34.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 75.21 109.334 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.4 m -84.41 -54.56 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 71.34 110.012 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 73.14 109.215 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.801 HD13 ' H ' ' A' 2023 ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.425 -0.583 . . . . 63.51 109.425 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.801 ' H ' HD13 ' A' 2022 ' ' LEU . 9.7 m0 -50.15 -48.32 53.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.989 -1.115 . . . . 74.44 107.989 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.628 ' NE2' ' CZ ' ' A' 2070 ' ' PHE . 7.4 m80 -48.35 -25.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 64.41 109.647 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' A' 2022 ' ' LEU . 55.6 tt0 -70.62 -33.32 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.053 . . . . 52.31 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.963 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 73.22 110.998 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.784 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.4 m95 -70.92 -51.6 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 73.05 108.063 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.2 OUTLIER -58.79 -58.85 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 71.35 109.65 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.432 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 5.4 pt-20 -59.94 -29.79 68.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 75.31 110.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.45 -64.53 4.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 42.51 110.959 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.127 HD22 ' CH2' ' A' 2101 ' ' TRP . 71.6 mt -63.66 -31.9 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 0.721 . . . . 64.21 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 2.3 mm-40 -52.14 -51.55 57.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.383 1.052 . . . . 72.15 110.353 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.49 -49.16 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 73.34 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.558 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -51.98 -48.91 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.607 1.192 . . . . 55.33 109.367 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' 2031 ' ' LEU . 13.0 t -67.66 -41.71 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 71.21 109.992 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -52.42 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 72.13 110.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.54 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 4.2 pp -71.46 -39.82 70.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 74.43 109.242 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' 2037 ' ' LEU . 36.9 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 64.12 110.948 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.245 -0.65 . . . . 74.25 109.245 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.79 HG12 ' CE2' ' A' 2048 ' ' PHE . 48.7 t -66.94 -21.16 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 70.2 109.344 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -39.06 56.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.426 1.079 . . . . 60.13 109.247 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.863 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.4 -53.43 35.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 62.4 111.032 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.665 ' HE1' HG13 ' A' 2044 ' ' VAL . 27.5 ttp -61.35 -43.45 98.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 64.2 111.092 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.79 ' CE2' HG12 ' A' 2044 ' ' VAL . 8.1 m-85 -61.89 -42.1 98.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 74.45 110.988 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.57 ' O ' ' CD ' ' A' 2053 ' ' PRO . 12.1 pt-20 -75.87 -13.24 60.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 75.3 110.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' 2046 ' ' GLY . 20.4 t -83.1 -44.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.445 1.091 . . . . 74.15 109.318 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.86 -46.03 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 73.22 109.303 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.15 -55.48 0.81 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 70.34 110.297 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.57 ' CD ' ' O ' ' A' 2049 ' ' GLU . 17.7 Cg_endo -75.13 -50.58 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.543 1.812 . . . . 65.42 110.962 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.963 HD22 ' SD ' ' A' 2026 ' ' MET . 14.9 mt -49.19 -56.93 7.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 74.5 109.357 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' 2051 ' ' LEU . 40.5 m170 -59.49 -52.16 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 60.44 109.623 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.15 -48.14 61.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 73.24 109.26 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 73.54 111.011 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.74 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.6 OUTLIER -68.61 -33.5 74.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 53.55 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.4 mm-40 -71.77 -63.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 74.31 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.2 ptt85 -72.81 -16.68 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 74.43 110.235 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' 2057 ' ' MET . . . -119.06 76.11 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.557 1.16 . . . . 44.24 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -74.95 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.467 1.772 . . . . 75.34 111.032 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.453 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 1.7 tt0 -147.56 -70.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 71.33 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' 2066 ' ' LYS . 4.1 t -172.66 170.85 4.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 53.32 110.433 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' 2065 ' ' LEU . 3.1 mm? -55.98 -27.65 53.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 74.04 109.331 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' 2064 ' ' THR . 17.8 mmtt -68.18 -34.75 76.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 75.33 109.333 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.453 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 2.1 tp10 -84.59 -22.49 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 75.35 110.31 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.3 m -54.44 -45.04 72.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 72.01 110.413 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' 2073 ' ' ALA . 0.6 OUTLIER -53.42 -34.8 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 52.44 109.984 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.628 ' CZ ' ' NE2' ' A' 2024 ' ' HIS . 0.9 OUTLIER -74.27 -53.29 10.03 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 74.35 110.98 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' 2075 ' ' GLY . 14.1 t30 -60.83 -32.89 72.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 60.24 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' 2069 ' ' SER . 3.1 pt20 -79.93 -39.8 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.497 1.123 . . . . 74.41 110.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -50.35 -28.41 7.92 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 1.121 . . . . 72.44 109.316 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.816 ' HD1' HG22 ' A' 2107 ' ' VAL . 52.3 m-85 -116.17 -22.99 8.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 63.35 111.043 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.43 -33.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.593 1.183 . . . . 61.54 111.123 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.4 tpt180 -80.12 -51.25 9.23 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.527 0.781 . . . . 71.3 110.363 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.2 m-20 -57.64 -50.99 71.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 44.14 109.341 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.784 HD11 ' HH2' ' A' 2027 ' ' TRP . 36.1 mt -52.6 -33.75 47.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 75.53 109.418 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -48.58 63.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 64.21 111.007 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 10.8 tt0 -60.24 -57.93 10.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 64.34 110.317 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.06 -42.12 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 75.33 109.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -41.01 79.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.414 1.071 . . . . 52.42 110.287 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.535 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -63.13 -38.26 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 72.32 110.394 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.836 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 95.2 m95 -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 75.45 107.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 70.8 m -74.62 -59.54 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 61.31 108.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 7.5 ptt180 -62.83 -33.63 75.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 73.33 110.291 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -66.71 -42.22 86.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 61.11 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.63 ' CZ ' HD12 ' A' 2097 ' ' LEU . 0.8 OUTLIER -71.86 -39.44 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 65.15 111.025 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.656 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.5 mtt -60.52 -41.82 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.12 111.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -48.8 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.2 109.314 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 6.7 t -72.66 -70.8 0.33 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 53.33 109.972 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.78 92.85 2.23 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.574 1.171 . . . . 35.24 110.972 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -163.89 108.14 1.0 Allowed 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.551 0.795 . . . . 75.52 109.271 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.3 t -46.87 -39.38 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 51.2 109.329 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.7 tttp -49.11 -47.01 45.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 71.51 109.302 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.71 -32.1 72.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 70.1 109.357 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.743 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -69.55 -47.62 63.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 71.3 109.337 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.4 m -59.74 -39.23 84.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 73.01 110.39 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.73 -46.7 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 52.24 110.204 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.836 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -64.17 -43.03 96.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 73.41 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 1.127 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -61.05 -34.95 75.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 61.15 108.017 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -47.7 78.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 54.45 109.396 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 3.9 mp -56.45 -53.61 55.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 73.34 109.255 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -57.32 -49.83 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 62.11 111.008 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.53 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -48.24 -48.83 34.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 73.43 110.987 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.41 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.31 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.816 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.8 t -64.26 -57.78 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 74.03 109.266 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.752 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 22.6 m-85 -64.17 -27.76 69.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.362 1.039 . . . . 73.34 111.017 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' 2105 ' ' TYR . 8.7 ttt180 -74.11 -32.04 63.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 70.14 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -51.71 24.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 73.54 110.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.557 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -45.36 -31.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.44 109.328 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 12.7 p -86.41 -52.01 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 75.11 109.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 71.43 109.321 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.443 HD13 ' H ' ' A' 2023 ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.311 -0.626 . . . . 75.15 109.311 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.544 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.9 m0 -62.99 -51.82 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.035 -1.098 . . . . 71.32 108.035 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.418 ' ND1' HD12 ' A' 2022 ' ' LEU . 1.6 m80 -46.01 -22.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 72.04 109.489 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -69.81 -40.3 76.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 75.21 110.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.74 -33.55 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 73.41 111.023 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.813 ' HH2' HD11 ' A' 2078 ' ' LEU . 67.0 m95 -67.13 -49.18 65.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.91 -1.144 . . . . 74.25 107.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -64.21 -47.55 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 71.25 109.741 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' 2025 ' ' GLU . 2.0 tt0 -65.91 -38.75 89.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 71.33 110.351 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -56.65 -63.2 5.53 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 75.52 110.994 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 0.988 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.2 mt -59.27 -32.32 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 0.716 . . . . 75.33 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' 2036 ' ' ARG . 2.1 mm-40 -53.5 -52.61 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 75.34 110.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -79.52 -49.7 11.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 51.13 110.284 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.801 ' HB2' HG11 ' A' 2050 ' ' VAL . . . -52.21 -49.96 62.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 64.13 109.208 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.3 p -68.28 -43.98 76.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 70.14 109.9 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' 2032 ' ' GLU . 1.5 mtp85 -53.72 -52.08 61.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 63.23 110.289 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' 2047 ' ' MET . 4.3 pp -69.29 -40.8 77.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 71.11 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.436 ' N ' HD12 ' A' 2037 ' ' LEU . 61.8 t80 . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.113 . . . . 74.33 110.984 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.298 -0.631 . . . . 72.34 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.726 HG12 ' CE2' ' A' 2048 ' ' PHE . 37.5 t -54.29 -24.98 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 73.04 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.46 -43.21 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.44 109.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.43 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -53.44 -54.15 31.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.606 1.191 . . . . 42.34 111.023 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.976 ' O ' HD22 ' A' 2051 ' ' LEU . 8.6 tmm? -54.16 -47.61 71.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 0.719 . . . . 74.25 111.05 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.726 ' CE2' HG12 ' A' 2044 ' ' VAL . 10.1 m-85 -63.46 -34.4 77.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 75.22 111.05 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.3 mm-40 -75.77 -15.98 60.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 64.34 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.847 HG12 HD13 ' A' 2051 ' ' LEU . 0.6 OUTLIER -84.08 -42.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 71.03 109.397 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.976 HD22 ' O ' ' A' 2047 ' ' MET . 0.4 OUTLIER -77.18 -46.87 21.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.43 109.351 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -33.92 -54.43 0.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 71.53 110.336 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.583 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 73.32 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.819 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.52 -55.99 11.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 74.44 109.343 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 44.2 m170 -57.56 -53.08 62.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 63.33 109.5 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -52.18 -50.47 61.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.423 1.077 . . . . 74.04 109.253 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.99 -36.2 37.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 73.24 111.052 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.544 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -71.1 -33.77 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 70.11 110.984 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' 2055 ' ' HIS . 6.0 mm-40 -72.84 -63.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 73.22 110.221 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -72.66 -24.34 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 75.22 110.297 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.29 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 64.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 62.01 110.963 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.04 -70.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 75.33 110.237 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.2 t -170.51 174.31 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 62.1 110.504 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -28.97 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 73.12 109.311 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -69.69 -34.79 74.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 54.05 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.15 -18.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 1.055 . . . . 63.13 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 30.3 m -54.59 -33.26 60.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 62.34 110.338 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -35.93 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.43 109.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.606 ' HE2' HG22 ' A' 2111 ' ' ILE . 18.1 t80 -63.81 -52.98 57.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.52 111.01 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 2.3 t-20 -64.24 -28.79 69.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 63.13 109.402 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -77.41 -54.6 6.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.41 110.312 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.2 -52.81 4.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.24 109.379 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.6 m-85 -90.68 -14.99 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.593 1.183 . . . . 74.15 110.999 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.38 -44.33 2.26 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.526 1.141 . . . . 43.12 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -49.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.62 0.835 . . . . 52.23 110.341 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.54 -55.68 17.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 43.43 109.324 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.813 HD11 ' HH2' ' A' 2027 ' ' TRP . 13.8 mt -52.71 -37.82 59.73 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 75.53 109.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -46.61 89.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.15 110.917 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.505 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 21.5 tt0 -62.28 -54.28 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.42 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.46 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.93 -40.65 66.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 64.1 109.352 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.8 OUTLIER -60.55 -39.49 88.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 64.12 110.256 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.504 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 74.53 110.226 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.45 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.4 m95 -75.58 -23.92 56.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 71.22 107.992 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.434 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 42.7 t -66.64 -58.54 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 75.54 108.225 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.504 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.1 OUTLIER -62.52 -28.98 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.01 110.278 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.494 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -60.62 -50.5 73.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 75.34 109.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.486 ' O ' ' N ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -70.91 -46.77 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.3 110.964 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.412 ' N ' ' CD1' ' A' 2088 ' ' TYR . 3.0 mtt -56.9 -32.29 65.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 62.12 111.008 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.9 tptm -92.01 -56.83 2.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 74.31 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' 2087 ' ' LYS . 4.7 t -70.2 -64.42 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 65.2 109.96 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.31 81.4 1.53 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.48 1.113 . . . . 74.21 111.094 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.37 120.35 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 74.01 109.325 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -56.82 -29.78 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 72.24 109.417 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.47 -49.04 78.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 63.4 109.305 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -39.85 80.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 53.23 109.338 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' 2097 ' ' LEU . 0.2 OUTLIER -63.27 -48.39 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 65.44 109.37 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -58.25 -41.73 84.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 73.24 110.327 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' 2103 ' ' LEU . 0.0 OUTLIER -58.51 -50.66 72.95 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 65.4 110.2 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.29 -47.59 78.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 73.44 109.376 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.653 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 64.44 108.057 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -51.11 71.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 73.24 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' 2107 ' ' VAL . 6.5 mp -54.14 -54.21 42.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 65.34 109.357 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.429 ' O ' HG22 ' A' 2107 ' ' VAL . 14.8 m-85 -54.03 -55.68 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 73.12 111.094 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.97 -36.49 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 72.43 111.027 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . 0.5 ' O ' ' HG2' ' A' 2109 ' ' ARG . 47.9 t-80 -63.47 -45.59 90.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 71.13 109.635 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -77.21 -35.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 73.33 109.31 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.988 ' CG ' HD11 ' A' 2031 ' ' LEU . 10.1 m-85 -72.1 -31.7 66.29 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.536 1.148 . . . . 73.32 111.001 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' 2106 ' ' HIS . 6.9 ptp180 -79.43 -31.17 42.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.585 1.178 . . . . 64.13 110.273 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' 2109 ' ' ARG . 24.7 tpt180 -70.29 -50.41 39.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 71.54 110.246 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.606 HG22 ' HE2' ' A' 2070 ' ' PHE . 11.8 pt -43.24 -30.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 72.11 109.261 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 22.7 t -91.98 -56.81 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 71.23 109.978 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.2 tptp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 60.41 109.279 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.309 -0.626 . . . . 72.5 109.309 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.563 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.6 m0 -70.28 -50.83 35.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.979 -1.119 . . . . 60.01 107.979 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.18 -22.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.25 109.555 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.4 OUTLIER -70.11 -36.37 74.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 74.2 110.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.511 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -75.73 -32.92 60.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 72.34 110.978 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.847 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.8 m95 -68.01 -44.01 77.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 70.32 108.019 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -65.07 -59.3 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 71.4 109.616 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.5 OUTLIER -61.02 -35.95 78.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.22 110.258 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' 2026 ' ' MET . . . -55.44 -62.64 6.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 51.22 110.993 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 0.977 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.9 mt -58.72 -30.95 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 71.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.01 -49.24 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 53.45 110.29 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.716 ' O ' HD12 ' A' 2037 ' ' LEU . 1.1 tt0 -79.1 -45.0 20.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 63.34 110.237 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.741 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -58.14 -47.09 84.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 55.22 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.5 p -65.94 -39.94 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 75.5 109.982 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -56.87 -41.69 78.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 64.5 110.195 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' 2033 ' ' GLU . 1.1 mt -71.73 -35.01 70.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 75.23 109.26 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 89.9 t80 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.627 1.204 . . . . 72.23 110.993 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.36 -0.607 . . . . 64.42 109.36 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.648 HG12 ' CE2' ' A' 2048 ' ' PHE . 38.2 t -57.14 -21.7 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 73.25 109.332 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -40.24 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 72.12 109.343 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.673 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.81 -56.03 22.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.465 1.103 . . . . 53.32 111.048 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.741 ' CG ' ' HB1' ' A' 2034 ' ' ALA . 8.8 tmm? -55.99 -43.16 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 0.803 . . . . 74.51 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.648 ' CE2' HG12 ' A' 2044 ' ' VAL . 7.2 m-85 -62.78 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 73.32 111.072 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.576 ' O ' ' CD ' ' A' 2053 ' ' PRO . 15.8 mt-10 -75.74 -13.43 60.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 65.53 110.291 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' 2046 ' ' GLY . 25.6 t -82.55 -46.85 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 63.04 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.652 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.82 -44.76 31.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 74.33 109.193 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.3 OUTLIER -34.08 -56.15 0.75 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 73.12 110.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.576 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.99 -52.02 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.53 1.805 . . . . 75.11 110.974 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.12 -57.37 6.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.167 . . . . 75.14 109.386 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' 2051 ' ' LEU . 9.1 m170 -60.05 -52.66 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 63.44 109.627 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' 2052 ' ' GLU . . . -49.43 -50.72 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 71.02 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.79 -38.76 56.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 64.42 111.001 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.563 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.0 OUTLIER -66.52 -37.22 84.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 63.25 110.901 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.2 mm-40 -69.85 -64.02 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 64.21 110.244 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.7 OUTLIER -65.49 -35.0 79.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.41 110.334 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' 2057 ' ' MET . . . -124.08 81.1 0.35 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.572 1.17 . . . . 63.12 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.451 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.2 Cg_endo -74.99 -93.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 73.53 110.969 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.443 ' CB ' ' HB2' ' A' 2067 ' ' GLU . 0.2 OUTLIER 176.77 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 71.24 110.412 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.684 HG23 ' H ' ' A' 2066 ' ' LYS . 6.1 t -167.17 -171.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 62.14 110.315 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.465 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.0 OUTLIER -61.1 -26.92 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 64.44 109.298 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . 0.684 ' H ' HG23 ' A' 2064 ' ' THR . 13.0 tttt -68.98 -49.61 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 71.55 109.292 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' 2063 ' ' GLN . 2.4 mm-40 -75.43 -20.04 59.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.44 110.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.2 m -53.51 -27.34 25.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.01 110.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -40.58 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 63.42 110.063 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.581 ' HE2' HG22 ' A' 2111 ' ' ILE . 27.6 t80 -63.49 -51.25 66.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 54.13 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 34.8 t30 -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.516 1.135 . . . . 63.44 109.231 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -78.18 -52.89 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 51.41 110.332 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.63 5.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.478 1.111 . . . . 73.24 109.366 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.579 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.1 m-85 -95.09 -15.07 23.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.371 1.044 . . . . 74.12 111.112 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.51 -40.86 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.569 1.168 . . . . 64.34 111.02 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -51.75 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 74.12 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.99 -56.9 10.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 73.2 109.337 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.847 HD11 ' HH2' ' A' 2027 ' ' TRP . 15.1 mt -52.4 -40.19 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.4 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 13.5 ttm -56.22 -46.46 79.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.127 . . . . 63.1 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 12.6 tt0 -62.71 -56.06 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.362 1.039 . . . . 70.52 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.646 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -52.93 -42.37 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 74.34 109.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.51 -42.48 82.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 63.15 110.178 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 62.33 110.208 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.794 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.3 m95 -68.53 -33.52 74.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.991 -1.115 . . . . 74.24 107.991 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 67.6 m -65.08 -55.55 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 74.33 108.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -54.67 -36.88 65.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 72.41 110.359 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.62 99.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 75.12 109.286 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 74.7 t80 -70.51 -48.06 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 61.24 110.966 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.422 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -57.91 -36.4 72.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 54.45 110.917 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -58.81 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 54.42 109.334 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.66 57.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 64.31 109.967 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -97.64 -151.28 27.39 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.557 1.161 . . . . 73.4 111.094 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.02 168.64 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 75.41 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -40.44 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 72.51 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.86 -48.63 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 65.54 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -41.23 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.22 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 8.0 tp -56.83 -42.98 80.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 74.41 109.281 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.3 m -64.79 -45.37 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 62.32 110.472 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.536 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -51.28 -52.75 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 64.25 110.259 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.794 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.7 -48.63 79.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 70.41 109.346 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.602 ' CZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -57.77 -41.68 82.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.34 108.015 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -51.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.075 . . . . 74.25 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.596 ' O ' HG13 ' A' 2107 ' ' VAL . 5.3 mp -56.84 -52.9 63.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.42 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.646 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 3.5 m-30 -54.23 -56.05 22.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 75.14 111.01 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.91 -38.14 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.52 110.974 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . 0.465 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.8 m170 -61.66 -45.84 92.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 74.4 109.662 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -75.86 -35.15 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 74.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.977 ' CG ' HD11 ' A' 2031 ' ' LEU . 8.9 m-85 -73.04 -31.88 64.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 74.45 111.012 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -79.78 -25.63 40.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 73.43 110.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . 0.496 ' N ' ' HG3' ' A' 2109 ' ' ARG . 2.1 mmm180 -75.44 -50.25 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 72.32 110.306 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.581 HG22 ' HE2' ' A' 2070 ' ' PHE . 7.9 pt -42.09 -37.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 61.55 109.276 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 66.4 p -81.85 -45.86 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 63.03 109.961 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 71.54 109.244 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.764 HD22 ' H ' ' A' 2025 ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.328 -0.619 . . . . 74.32 109.328 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.727 ' HB3' ' HE1' ' A' 2058 ' ' MET . 17.0 m0 -81.15 -39.72 25.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.955 -1.128 . . . . 62.3 107.955 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.594 ' HB2' HD23 ' A' 2022 ' ' LEU . 3.3 m80 -44.57 -23.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 75.11 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.764 ' H ' HD22 ' A' 2022 ' ' LEU . 0.9 OUTLIER -68.07 -40.93 82.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 70.55 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.927 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -71.64 -31.28 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 71.42 110.998 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.758 ' HH2' HD11 ' A' 2078 ' ' LEU . 78.2 m95 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 74.11 107.998 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.4 OUTLIER -56.88 -59.06 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 72.44 109.625 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.47 ' N ' ' CD2' ' A' 2028 ' ' HIS . 4.8 pt-20 -63.64 -40.43 96.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 74.3 110.303 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.5 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -56.12 -63.61 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 72.23 110.956 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.122 HD22 ' CG ' ' A' 2108 ' ' PHE . 5.1 tp -57.7 -32.16 67.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.545 0.791 . . . . 72.55 109.243 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.72 -53.26 57.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 71.03 110.279 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.73 48.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 64.03 110.343 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.81 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.06 -49.27 69.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.143 . . . . 42.02 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.446 ' HG ' ' HH2' ' A' 2101 ' ' TRP . 7.6 m -56.56 -45.97 80.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 64.45 109.864 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -34.29 72.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 60.22 110.317 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' 2034 ' ' ALA . 3.0 mt -70.33 -34.04 72.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.591 1.182 . . . . 71.41 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 65.13 110.978 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 109.328 -0.619 . . . . 74.43 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.724 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 4.3 t -65.71 -10.55 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 64.32 109.402 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.47 -40.24 67.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 61.25 109.277 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.833 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.55 -56.56 24.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.445 1.091 . . . . 65.41 110.977 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.85 -46.93 81.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 72.04 110.948 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.724 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.7 m-85 -68.19 -37.1 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 71.41 110.997 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 5.5 mm-40 -75.45 -13.68 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 75.12 110.285 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' 2046 ' ' GLY . 21.6 t -84.56 -44.06 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 74.32 109.244 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -46.38 26.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 73.1 109.332 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.2 mt-10 -34.93 -55.45 0.95 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.4 110.32 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.569 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.98 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.481 1.779 . . . . 74.21 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.927 HD22 ' SD ' ' A' 2026 ' ' MET . 16.8 mt -48.39 -56.7 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 61.43 109.247 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.572 ' CE1' HD22 ' A' 2078 ' ' LEU . 36.3 m170 -59.18 -52.31 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.21 109.565 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.27 -47.21 62.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 62.51 109.27 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.517 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.7 -38.72 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 65.43 111.057 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.768 ' HE3' ' HG2' ' A' 2026 ' ' MET . 0.4 OUTLIER -70.41 -33.08 70.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.19 . . . . 64.22 110.996 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.1 mm-40 -71.67 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 75.42 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -22.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 72.13 110.349 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.33 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 73.44 111.039 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 62.43 111.133 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' 2064 ' ' THR . 1.3 tp60 -145.71 -72.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 74.2 110.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.49 HG23 ' O ' ' A' 2063 ' ' GLN . 21.0 p -156.08 161.06 40.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 63.2 110.384 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -27.32 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.626 1.204 . . . . 61.11 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -50.95 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.156 . . . . 70.32 109.265 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.53 -23.53 63.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 64.14 110.239 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.7 m -55.35 -41.58 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 1.208 . . . . 73.1 110.351 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.4 m -64.74 -50.59 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 72.21 110.063 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' 2070 ' ' PHE . 0.5 OUTLIER -58.8 -43.32 90.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 71.15 110.975 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2075 ' ' GLY . 41.7 t30 -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.11 109.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -78.1 -54.94 5.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 74.41 110.291 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.36 -33.17 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 73.43 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.823 ' CD2' HG13 ' A' 2107 ' ' VAL . 2.5 m-30 -96.48 -24.22 16.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 70.44 110.979 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.34 -42.99 5.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 51.24 110.925 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -45.92 59.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 0.766 . . . . 73.11 110.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.54 -51.1 68.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 74.31 109.363 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.758 HD11 ' HH2' ' A' 2027 ' ' TRP . 24.5 mt -57.54 -33.45 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 61.35 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 mtp -67.48 -44.73 77.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.545 1.153 . . . . 73.41 111.0 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.499 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 17.9 tt0 -60.16 -58.55 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 72.13 110.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.579 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -53.59 -41.1 66.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 61.11 109.313 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -57.8 -39.65 78.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 73.23 110.331 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.535 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -66.13 -36.57 83.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 55.5 110.331 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.735 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.8 m95 -73.09 -23.76 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 71.41 107.944 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.8 t -72.03 -58.56 3.34 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.57 1.169 . . . . 74.34 108.209 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 2.2 ptm180 -67.08 -27.83 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 72.51 110.275 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -71.81 -37.17 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 73.21 109.239 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.516 ' CE2' HD22 ' A' 2097 ' ' LEU . 10.1 t80 -79.41 -45.0 20.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 74.14 110.98 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.0 mtt -61.59 -38.2 86.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 74.11 111.034 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.466 ' HD2' ' O ' ' A' 2090 ' ' LYS . 11.5 tptm -64.92 -58.99 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 71.23 109.235 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.22 78.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.138 . . . . 71.03 109.965 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -133.06 -141.8 4.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 62.11 110.999 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -149.23 157.95 43.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 45.01 109.307 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -35.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 62.4 109.204 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -49.01 -48.1 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 62.54 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -67.02 -39.01 86.96 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.435 1.084 . . . . 65.21 109.343 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' 2097 ' ' LEU . 4.2 tp -62.73 -46.66 87.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 72.34 109.226 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.4 m -59.32 -42.66 91.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 61.1 110.424 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.404 ' O ' HD12 ' A' 2103 ' ' LEU . 1.5 tt0 -57.1 -49.91 74.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 74.4 110.272 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.735 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.26 -43.52 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 72.21 109.37 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.57 ' CH2' HD11 ' A' 2031 ' ' LEU . 1.0 OUTLIER -62.77 -33.06 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.23 107.998 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -50.61 70.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.603 1.189 . . . . 43.44 109.26 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.4 mp -54.87 -53.11 59.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 73.43 109.369 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 18.1 m-85 -57.15 -46.77 82.45 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.433 1.083 . . . . 73.03 110.936 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.43 -48.37 47.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 75.33 111.04 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' 2110 ' ' ARG . 37.3 m170 -62.64 -37.88 88.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 72.45 109.595 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' 2074 ' ' TYR . 2.1 t -69.59 -56.65 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 35.45 109.211 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.122 ' CG ' HD22 ' A' 2031 ' ' LEU . 30.9 m-85 -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.42 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' 2105 ' ' TYR . 7.6 ttt180 -76.49 -30.62 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 74.42 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . 0.428 ' CB ' ' OH ' ' A' 2074 ' ' TYR . 10.2 mmt-85 -72.59 -51.43 19.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 72.24 110.341 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.512 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 15.5 pt -42.92 -31.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 75.21 109.277 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.1 m -85.3 -53.96 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 53.22 109.998 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 61.51 109.358 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' 2022 ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.299 -0.63 . . . . 62.31 109.299 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.511 ' O ' ' N ' ' A' 2026 ' ' MET . 8.7 m0 -66.53 -51.44 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 73.3 107.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.7 m170 -46.45 -25.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 63.34 109.551 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.3 tm-20 -69.42 -32.53 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 63.51 110.378 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.862 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -76.02 -31.51 58.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 73.53 111.028 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.683 ' CH2' HD21 ' A' 2078 ' ' LEU . 61.6 m95 -69.98 -50.52 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 72.3 108.028 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.6 OUTLIER -60.85 -59.17 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 65.24 109.615 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.451 ' N ' ' CD2' ' A' 2028 ' ' HIS . 0.0 OUTLIER -63.24 -33.79 76.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 71.33 110.257 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.47 -64.18 4.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.133 . . . . 70.31 111.01 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.122 HD22 ' CG ' ' A' 2108 ' ' PHE . 1.8 tp -61.55 -32.4 72.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 62.44 109.343 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.12 -48.35 73.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 62.04 110.258 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.11 -49.15 25.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.401 1.063 . . . . 71.12 110.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -56.64 -37.24 70.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 62.44 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' 2031 ' ' LEU . 17.6 t -75.91 -52.94 9.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.168 . . . . 71.54 110.01 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.2 -44.3 53.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 74.45 110.216 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.995 HD12 ' N ' ' A' 2038 ' ' TYR . 3.3 pp -70.43 -48.08 57.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 71.24 109.317 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.995 ' N ' HD12 ' A' 2037 ' ' LEU . 42.9 t80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 71.14 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.491 ' O ' HD13 ' A' 2037 ' ' LEU . 1.9 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.255 -0.646 . . . . 71.0 109.255 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.755 HG12 ' CE2' ' A' 2048 ' ' PHE . 48.7 t -73.88 -26.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 62.33 109.407 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.422 ' HE2' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.87 -36.26 37.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.091 . . . . 54.12 109.385 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.601 ' O ' HG23 ' A' 2050 ' ' VAL . . . -62.11 -53.24 44.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.54 1.15 . . . . 75.3 110.963 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.653 ' CE ' HG13 ' A' 2044 ' ' VAL . 8.4 tmm? -52.58 -43.32 65.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 0.814 . . . . 44.05 110.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.755 ' CE2' HG12 ' A' 2044 ' ' VAL . 14.2 m-85 -68.03 -37.66 81.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 62.31 110.989 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 28.2 mt-10 -75.89 -13.73 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 71.01 110.203 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' 2046 ' ' GLY . 24.4 t -84.82 -44.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.107 . . . . 71.32 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.2 -45.43 33.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 75.12 109.363 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.8 -55.99 1.16 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 73.24 110.31 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.557 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -74.96 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 61.22 111.041 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.862 HD22 ' SD ' ' A' 2026 ' ' MET . 20.9 mt -49.41 -55.31 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 71.44 109.254 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.846 ' CE1' HD23 ' A' 2078 ' ' LEU . 3.3 m170 -58.43 -53.37 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 71.21 109.661 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.29 -50.19 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 53.53 109.232 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.11 -39.52 43.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 74.33 110.971 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.761 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.0 OUTLIER -69.14 -31.7 70.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.502 1.126 . . . . 74.45 110.85 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.1 mm-40 -76.43 -63.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 62.54 110.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' 2056 ' ' ALA . 30.8 ptt180 -71.52 -18.19 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.12 110.359 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.38 77.25 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.558 1.161 . . . . 53.13 110.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.6 1.842 . . . . 63.42 110.94 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' 2064 ' ' THR . 4.7 tp60 -148.94 -76.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 72.35 110.363 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.554 HG23 ' O ' ' A' 2063 ' ' GLN . 23.8 p -158.61 177.43 11.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.157 . . . . 55.32 110.362 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -64.35 -27.23 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 53.14 109.412 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 18.0 mttt -67.33 -39.71 85.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 60.54 109.266 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -77.24 -26.04 52.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.22 110.248 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.9 m -54.79 -28.51 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 54.35 110.453 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -37.56 63.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 71.34 110.037 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.51 ' HE1' HG22 ' A' 2111 ' ' ILE . 62.6 t80 -63.42 -51.63 64.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 70.54 110.985 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' 2075 ' ' GLY . 22.5 t-20 -63.74 -29.92 71.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 74.11 109.377 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.27 -45.93 21.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 72.34 110.34 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.98 -46.22 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 35.15 109.323 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.71 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 39.1 m-85 -99.49 -17.75 17.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 74.33 110.956 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -39.13 -28.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 71.51 110.995 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' 2074 ' ' TYR . 19.0 tpt180 -79.02 -46.79 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 65.22 110.345 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.555 ' HB2' HG11 ' A' 2107 ' ' VAL . 6.7 m-20 -61.37 -57.05 13.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 64.15 109.364 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.846 HD23 ' CE1' ' A' 2055 ' ' HIS . 8.0 mp -51.37 -46.0 62.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 62.32 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.1 ttm -50.49 -49.38 55.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 74.13 110.971 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.487 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.4 tt0 -71.1 -48.3 53.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 73.12 110.26 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.47 -44.36 68.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 72.24 109.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.63 -38.49 90.46 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.482 1.114 . . . . 71.12 110.312 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.524 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -60.69 -37.29 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 63.13 110.271 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.731 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.7 m95 -75.84 -25.78 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.933 -1.136 . . . . 74.13 107.933 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 71.6 m -69.48 -59.0 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 60.31 108.25 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.524 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 1.1 ptm180 -65.05 -28.63 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 73.11 110.234 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.468 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.66 -33.6 71.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.599 1.187 . . . . 64.41 109.332 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.424 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 9.9 t80 -77.16 -45.2 27.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 73.23 111.026 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.586 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -60.31 -40.44 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 53.53 111.055 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -57.53 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 73.35 109.265 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.16 77.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 52.02 109.995 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -124.64 -148.86 7.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.383 1.052 . . . . 64.3 110.939 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -141.96 -178.06 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 72.35 109.326 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -40.81 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 53.02 109.322 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 -48.42 49.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 75.44 109.329 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -42.8 88.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 72.31 109.319 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' 2097 ' ' LEU . 1.6 tp -59.07 -46.9 87.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 41.22 109.287 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -58.75 -42.16 88.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 74.54 110.471 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.452 ' O ' HD12 ' A' 2103 ' ' LEU . 0.8 OUTLIER -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 54.34 110.366 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.731 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.74 -49.4 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 71.14 109.246 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.503 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 0.2 OUTLIER -56.67 -31.2 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 74.12 107.935 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -48.99 68.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.627 1.205 . . . . 62.43 109.38 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.5 mp -53.45 -52.75 58.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 74.31 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.522 ' O ' HG22 ' A' 2107 ' ' VAL . 11.0 m-85 -56.84 -57.35 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.11 111.005 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.3 t80 -49.67 -27.94 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 73.25 111.053 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -70.71 -55.67 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 72.23 109.559 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.71 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.5 m -64.13 -43.79 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 72.41 109.261 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.122 ' CG ' HD22 ' A' 2031 ' ' LEU . 17.8 m-85 -66.63 -29.61 69.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 74.32 110.947 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' 2105 ' ' TYR . 22.3 ttt85 -77.84 -28.16 50.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 73.11 110.287 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -75.15 -51.52 13.21 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.422 1.077 . . . . 51.34 110.337 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.572 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.0 pt -45.24 -35.08 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.552 1.157 . . . . 75.33 109.352 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.38 -47.09 20.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 74.01 110.02 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . 0.487 ' NZ ' ' NH1' ' A' 2109 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.33 109.245 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.587 HD12 ' ND1' ' A' 2024 ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.18 -0.674 . . . . 75.41 109.18 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.567 ' H ' HD13 ' A' 2022 ' ' LEU . 10.2 m0 -69.36 -52.49 26.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 71.2 108.067 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.587 ' ND1' HD12 ' A' 2022 ' ' LEU . 4.3 m80 -46.75 -24.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 71.32 109.635 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' 2023 ' ' TRP . 8.0 tp10 -69.03 -36.34 77.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 73.45 110.331 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.987 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.96 -31.1 62.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 74.13 110.948 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.869 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.0 m95 -68.67 -51.47 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 53.34 108.051 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -58.02 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 70.11 109.691 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.6 OUTLIER -63.04 -37.38 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 73.44 110.209 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -57.8 -64.96 3.89 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.634 1.209 . . . . 35.24 110.996 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 0.999 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.0 mt -58.87 -30.44 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 0.814 . . . . 74.12 109.316 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.95 -53.74 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 74.22 110.293 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.388 1.055 . . . . 53.31 110.305 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 54.42 109.302 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 51.9 p -60.62 -42.87 97.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.17 . . . . 73.03 109.912 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -32.87 71.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.12 110.254 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' 2034 ' ' ALA . 2.7 mt -70.53 -42.38 71.28 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.512 1.132 . . . . 65.34 109.291 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 75.11 110.934 -179.95 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.239 -0.652 . . . . 71.14 109.239 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.759 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 3.5 t -65.62 -11.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 45.54 109.217 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.29 -38.85 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 71.11 109.287 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.823 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.17 -56.13 22.87 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.373 1.046 . . . . 74.21 111.032 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.525 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 0.2 OUTLIER -60.62 -48.87 79.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 74.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.759 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.8 m-30 -60.59 -43.66 97.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 61.15 111.017 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.555 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.3 pt-20 -72.32 -13.4 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 73.34 110.36 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' 2046 ' ' GLY . 6.8 t -84.9 -45.19 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.371 1.045 . . . . 70.04 109.313 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.84 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.64 -43.15 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.43 109.357 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.3 OUTLIER -37.27 -54.34 2.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 52.24 110.339 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.96 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 70.14 110.909 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.987 HD22 ' SD ' ' A' 2026 ' ' MET . 34.9 mt -48.2 -55.42 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 75.12 109.262 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 39.4 m170 -60.9 -51.81 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 73.12 109.514 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.68 -49.02 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 44.2 109.266 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.22 -41.55 50.04 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 72.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.634 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.0 OUTLIER -65.26 -34.57 78.67 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.065 . . . . 72.24 111.016 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.2 mm-40 -74.81 -62.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 1.179 . . . . 75.22 110.371 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.455 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.0 ptm180 -72.52 -7.92 52.47 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.549 1.156 . . . . 71.31 110.323 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' 2057 ' ' MET . . . -125.36 67.51 0.52 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 52.4 110.949 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.3 Cg_endo -75.08 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 74.1 111.076 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -153.32 -73.93 0.13 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.63 1.206 . . . . 73.23 110.244 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 1.036 ' O ' HG23 ' A' 2068 ' ' THR . 4.8 p -159.68 175.62 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.41 110.368 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.519 ' HA ' HD22 ' A' 2065 ' ' LEU . 0.2 OUTLIER -53.78 -26.88 25.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 64.21 109.365 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.49 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.439 1.087 . . . . 41.51 109.356 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.518 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -68.33 -37.24 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 74.21 110.183 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 1.036 HG23 ' O ' ' A' 2064 ' ' THR . 71.7 p -54.08 -36.36 63.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 64.12 110.377 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -37.15 64.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.368 1.042 . . . . 64.1 110.022 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.62 ' HE2' HG22 ' A' 2111 ' ' ILE . 43.9 t80 -72.82 -53.29 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.33 110.971 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' CA ' ' A' 2075 ' ' GLY . 23.9 t30 -64.85 -29.3 70.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 71.53 109.322 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' 2068 ' ' THR . 7.3 mt-30 -78.13 -51.45 10.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.381 1.051 . . . . 74.15 110.293 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.9 -50.68 5.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 74.31 109.265 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.558 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.1 m-85 -94.78 -14.83 24.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 71.21 111.017 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.73 -48.86 1.87 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 63.44 111.051 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -45.82 58.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 0.793 . . . . 73.25 110.294 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -55.17 -54.67 40.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.03 109.203 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.869 HD11 ' HH2' ' A' 2027 ' ' TRP . 37.5 mt -54.94 -34.38 63.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 50.52 109.33 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 26.4 tpp -64.43 -46.84 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.24 111.052 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 5.4 tt0 -60.29 -54.96 39.52 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.438 1.086 . . . . 74.34 110.41 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -52.61 -40.61 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 63.3 109.269 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.44 -42.89 92.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.52 110.271 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.6 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 74.43 110.25 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.735 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.3 m95 -72.08 -30.75 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.988 -1.116 . . . . 73.21 107.988 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 98.2 m -66.53 -58.79 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 75.44 108.258 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.25 73.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 74.3 110.311 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -59.54 -37.54 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 35.42 109.27 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.729 ' CE2' HD12 ' A' 2097 ' ' LEU . 1.2 t80 -75.79 -46.13 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 45.44 111.004 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.532 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 4.1 mtt -56.5 -31.93 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 75.05 110.977 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -55.79 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 72.03 109.315 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.2 t -68.39 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.22 110.05 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.29 94.83 1.81 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.564 1.165 . . . . 53.34 110.995 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.63 113.72 1.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 0.785 . . . . 74.01 109.363 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.9 p -50.01 -37.16 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 72.54 109.351 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.8 tttt -49.4 -49.67 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 63.34 109.336 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.63 -32.2 69.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 74.43 109.379 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.729 HD12 ' CE2' ' A' 2088 ' ' TYR . 1.6 tt -64.97 -49.45 70.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.34 109.304 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.8 m -60.38 -50.31 74.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 62.54 110.334 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.422 ' O ' HD12 ' A' 2103 ' ' LEU . 1.0 OUTLIER -50.84 -51.48 50.77 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.584 1.177 . . . . 75.2 110.245 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.735 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -58.15 -43.21 87.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 74.22 109.312 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.999 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -62.79 -41.18 99.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 72.2 108.057 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 -47.36 71.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 75.21 109.252 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' 2107 ' ' VAL . 6.4 mp -59.44 -55.06 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 73.13 109.27 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.44 ' O ' HG22 ' A' 2107 ' ' VAL . 10.1 m-85 -55.39 -57.4 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 63.34 110.954 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.48 -41.61 30.25 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 73.22 110.942 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -57.08 -45.92 82.92 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.569 1.168 . . . . 71.32 109.548 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -72.74 -39.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 64.5 109.355 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.759 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 7.6 m-85 -67.88 -30.51 69.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 64.22 111.052 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -78.17 -36.83 47.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 72.34 110.301 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -64.35 -51.48 63.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 72.03 110.246 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.62 HG22 ' HE2' ' A' 2070 ' ' PHE . 18.4 pt -45.0 -40.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 73.24 109.355 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 7.7 t -79.63 -50.78 10.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 62.31 110.051 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 70.13 109.392 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.317 -0.623 . . . . 73.2 109.317 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.462 ' CD2' ' CE ' ' A' 2058 ' ' MET . 3.5 m0 -76.51 -47.2 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.31 108.026 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.7 m80 -48.06 -22.67 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 72.32 109.559 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.1 OUTLIER -69.37 -35.03 75.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 72.13 110.249 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.974 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -78.69 -30.68 46.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 54.32 111.061 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.668 ' CH2' HD21 ' A' 2078 ' ' LEU . 64.8 m95 -71.9 -46.53 57.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.537 1.148 . . . . 74.4 108.022 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -59.8 3.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 71.33 109.606 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.3 110.283 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.466 ' CA ' HD11 ' A' 2054 ' ' LEU . . . -60.27 -65.28 3.47 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 52.51 110.944 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.108 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.0 tp -59.95 -29.88 68.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 73.31 109.275 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.47 -53.92 47.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 73.42 110.326 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.95 -50.91 53.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 75.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.754 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -55.31 -47.66 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 74.24 109.35 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 30.7 t -57.71 -40.55 79.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 65.3 109.955 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -63.1 -34.7 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 63.04 110.349 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.76 HD13 ' HA3' ' A' 2046 ' ' GLY . 2.0 mt -69.86 -36.1 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 72.54 109.373 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 72.41 110.992 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.287 -0.635 . . . . 73.03 109.287 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.705 HG21 ' CD2' ' A' 2097 ' ' LEU . 2.3 t -62.36 -23.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 75.44 109.316 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -56.82 -36.47 69.99 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.487 1.117 . . . . 64.45 109.358 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' 2050 ' ' VAL . . . -51.59 -50.85 40.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.606 1.191 . . . . 35.34 111.036 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.546 ' HE3' ' CD1' ' A' 2048 ' ' PHE . 10.7 tmm? -64.6 -53.9 40.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 75.3 111.015 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' 2089 ' ' MET . 11.3 m-85 -51.56 -47.06 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.663 1.227 . . . . 71.43 110.949 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.7 pp20? -73.68 -14.75 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 74.12 110.278 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' 2046 ' ' GLY . 3.7 t -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.621 1.2 . . . . 71.4 109.336 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.829 HD23 ' N ' ' A' 2051 ' ' LEU . 0.4 OUTLIER -78.21 -40.09 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 62.24 109.399 179.878 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' 2053 ' ' PRO . 5.9 mt-10 -41.49 -53.7 7.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 73.4 110.35 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.606 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.99 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 75.14 111.043 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.974 HD22 ' SD ' ' A' 2026 ' ' MET . 56.9 mt -49.96 -55.12 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 73.24 109.259 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 57.5 m170 -60.0 -51.27 70.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 74.32 109.536 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.6 -49.74 67.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 55.44 109.181 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.31 -37.66 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 53.05 111.025 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.57 ' HE3' ' HG2' ' A' 2026 ' ' MET . 2.1 mmt -70.13 -33.26 71.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 62.13 110.991 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.4 -63.34 1.21 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.632 1.208 . . . . 63.24 110.239 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' 2056 ' ' ALA . 7.6 ptm180 -73.38 -19.73 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 73.34 110.203 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -121.53 74.84 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.436 1.085 . . . . 53.41 111.043 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.84 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.667 1.878 . . . . 60.52 111.049 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -133.06 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 72.11 110.284 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -179.27 163.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 71.13 110.388 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' 2068 ' ' THR . 0.2 OUTLIER -49.33 -26.11 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 71.4 109.317 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -73.22 -36.26 66.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 64.31 109.273 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' 2064 ' ' THR . 1.2 pp20? -47.3 -22.34 0.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.109 . . . . 73.54 110.255 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.563 HG23 ' O ' ' A' 2065 ' ' LEU . 46.7 p -53.85 -42.76 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 63.31 110.398 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' 2073 ' ' ALA . 0.2 OUTLIER -53.4 -44.92 69.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 74.4 110.012 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.85 ' CZ ' HG22 ' A' 2111 ' ' ILE . 0.8 OUTLIER -72.37 -54.51 9.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 75.44 111.078 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.584 ' O ' ' CA ' ' A' 2075 ' ' GLY . 60.0 t-20 -56.16 -35.08 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.5 109.315 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' 2068 ' ' THR . 6.8 mt-30 -81.04 -46.26 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 75.33 110.301 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -41.95 -51.93 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 52.2 109.268 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.634 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.5 m-85 -101.75 -12.09 18.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 71.23 111.011 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.584 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.72 -34.41 1.23 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.504 1.128 . . . . 74.53 110.929 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -40.89 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 72.33 110.31 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.0 OUTLIER -61.66 -58.94 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 72.44 109.306 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.668 HD21 ' CH2' ' A' 2027 ' ' TRP . 9.5 mp -52.39 -43.55 64.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 62.34 109.296 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -50.69 -49.75 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 72.24 111.074 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 20.7 tt0 -71.74 -47.62 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 74.21 110.296 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' 2103 ' ' LEU . . . -53.72 -44.26 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 72.42 109.312 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -38.76 92.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 71.41 110.316 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -37.62 76.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 70.31 110.249 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.826 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.0 m95 -73.72 -32.26 63.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.973 -1.121 . . . . 75.01 107.973 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.405 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 1.1 m -64.93 -48.79 72.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 60.22 108.28 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -41.14 97.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 71.22 110.305 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -33.96 75.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 72.04 109.242 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.584 ' CE2' HG11 ' A' 2044 ' ' VAL . 6.2 t80 -71.88 -47.32 53.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 63.51 110.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' 2048 ' ' PHE . 0.6 OUTLIER -62.11 -29.21 70.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.23 110.992 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.6 -52.17 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 75.04 109.233 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 49.1 m -83.18 -66.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 73.23 110.028 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.06 89.16 2.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 55.22 111.033 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . 0.406 ' O ' ' OD2' ' A' 2096 ' ' ASP . 0.7 OUTLIER -149.09 133.6 17.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 0.785 . . . . 64.5 109.27 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.8 p -72.67 -40.83 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 75.32 109.25 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -49.93 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 74.54 109.315 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' 2097 ' ' LEU . 0.0 OUTLIER -65.48 -45.49 83.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.34 109.398 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.705 ' CD2' HG21 ' A' 2044 ' ' VAL . 14.5 tp -58.65 -38.08 77.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 73.25 109.3 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.1 m -61.79 -50.5 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 73.43 110.439 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -47.87 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 73.44 110.312 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.26 -48.17 77.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 70.22 109.366 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.435 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 1.4 m95 -55.52 -37.35 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 74.24 107.954 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.3 -48.06 83.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.35 109.298 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' A' 2081 ' ' ALA . 4.4 mp -54.65 -54.07 46.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 64.23 109.255 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.54 ' O ' HG22 ' A' 2107 ' ' VAL . 18.9 m-85 -56.38 -56.87 15.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 75.43 110.93 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.547 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.78 -33.47 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 64.12 110.881 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.44 -55.12 26.8 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 74.23 109.578 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.634 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.5 m -66.44 -44.26 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 64.44 109.263 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.108 ' CG ' HD22 ' A' 2031 ' ' LEU . 15.0 m-85 -66.22 -29.24 69.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 71.22 110.879 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.547 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.1 ttm180 -76.35 -32.86 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.31 110.309 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -51.63 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.43 110.247 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.85 HG22 ' CZ ' ' A' 2070 ' ' PHE . 12.6 pt -43.53 -38.98 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 64.33 109.262 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 41.8 t -80.54 -54.38 5.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 70.31 110.087 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 75.13 109.312 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.343 -0.614 . . . . 72.23 109.343 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.617 ' CG ' ' CE ' ' A' 2058 ' ' MET . 9.6 m0 -48.44 -51.79 25.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 75.54 107.963 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.9 m80 -46.97 -23.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.324 1.015 . . . . 75.14 109.585 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' 2022 ' ' LEU . 2.0 tm-20 -70.67 -35.3 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 71.41 110.186 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.518 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -77.94 -29.73 50.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 75.45 111.046 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.801 ' HH2' HD11 ' A' 2078 ' ' LEU . 55.1 m95 -69.4 -49.6 53.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.918 -1.141 . . . . 71.32 107.918 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' 2029 ' ' GLU . 0.0 OUTLIER -61.42 -56.07 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 73.33 109.58 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' 2028 ' ' HIS . 1.5 mm-40 -57.93 -43.39 86.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 72.45 110.306 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.2 -63.43 4.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.583 1.177 . . . . 74.23 110.92 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.071 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.4 mt -56.32 -30.59 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 64.24 109.229 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -55.84 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 71.43 110.309 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.62 -46.54 63.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 73.33 110.322 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -56.49 -47.63 78.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 61.44 109.305 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.7 m -56.74 -45.46 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 62.33 110.043 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -32.5 70.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.42 110.41 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' 2034 ' ' ALA . 4.3 mt -70.9 -34.67 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 75.12 109.282 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.668 ' HD1' HG12 ' A' 2044 ' ' VAL . 83.7 t80 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 73.15 110.997 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.449 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 58.0 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.32 -0.622 . . . . 75.43 109.32 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.958 HG11 HD21 ' A' 2097 ' ' LEU . 30.7 m -72.32 -14.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.075 . . . . 64.12 109.231 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.449 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.91 -44.38 60.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 73.34 109.302 179.918 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.685 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.28 -53.01 36.92 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 74.31 111.027 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.57 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 7.1 tmm? -53.96 -46.97 71.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 0.738 . . . . 72.22 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.6 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 9.3 m-85 -63.49 -39.2 93.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 54.41 110.994 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.0 mt-10 -75.5 -13.79 60.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.571 1.17 . . . . 71.24 110.281 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' 2046 ' ' GLY . 23.1 t -84.6 -43.29 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.642 1.214 . . . . 74.32 109.33 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.659 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.59 -46.53 25.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 55.25 109.271 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.6 OUTLIER -34.6 -55.34 0.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 71.21 110.284 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.573 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.5 Cg_endo -74.96 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 71.33 110.961 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.518 HD22 ' SD ' ' A' 2026 ' ' MET . 16.9 mt -49.3 -56.65 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 75.43 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 62.9 m170 -59.57 -50.45 73.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 75.5 109.63 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.5 ' CB ' HH21 ' A' 2060 ' ' ARG . . . -51.67 -49.9 61.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 62.12 109.3 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.524 ' HE2' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.55 -39.36 57.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 62.44 110.957 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.617 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 2.3 mmt -67.9 -33.56 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 72.33 110.959 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' 2059 ' ' GLU . 4.9 mm-40 -73.21 -63.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 74.15 110.275 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.5 HH21 ' CB ' ' A' 2056 ' ' ALA . 3.5 ptt180 -71.46 -18.59 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.414 1.071 . . . . 73.34 110.28 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2057 ' ' MET . . . -116.64 79.83 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.147 . . . . 50.23 111.006 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.581 1.832 . . . . 53.44 110.959 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.505 ' C ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -145.9 -80.45 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.625 1.203 . . . . 73.21 110.296 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.505 HG23 ' C ' ' A' 2063 ' ' GLN . 27.0 p -156.95 -173.47 4.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 45.34 110.359 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.0 OUTLIER -61.75 -32.91 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.263 0.977 . . . . 70.02 109.341 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.3 86.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.23 109.368 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.557 ' HG2' ' CZ3' ' A' 2023 ' ' TRP . 0.3 OUTLIER -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.2 110.232 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 39.5 m -61.85 -36.13 80.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 72.44 110.377 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.12 74.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.626 1.204 . . . . 55.52 110.124 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.673 ' HE2' HG22 ' A' 2111 ' ' ILE . 38.8 t80 -63.18 -52.39 62.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 70.32 111.011 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' 2075 ' ' GLY . 0.9 OUTLIER -62.03 -29.47 70.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 74.45 109.371 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.78 -39.0 31.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 65.22 110.322 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -57.9 -24.78 59.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.42 109.412 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.814 ' HD1' HG22 ' A' 2107 ' ' VAL . 35.9 m-85 -118.45 -13.6 9.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 73.34 111.009 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.86 -38.87 4.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 53.21 111.022 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -81.59 -26.24 35.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 75.34 110.367 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' 2074 ' ' TYR . 73.7 m-20 -80.12 -52.39 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 64.24 109.283 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.801 HD11 ' HH2' ' A' 2027 ' ' TRP . 4.4 mt -57.03 -43.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 64.23 109.275 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' 2076 ' ' ARG . 11.1 ptm -66.48 -40.58 89.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 73.52 110.966 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.489 ' N ' ' HG3' ' A' 2079 ' ' MET . 54.7 tt0 -67.71 -57.92 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 73.42 110.326 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -56.93 -43.22 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 63.33 109.384 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.9 tp60 -58.32 -39.28 79.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 71.31 110.251 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -37.89 89.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 60.13 110.225 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.4 m95 -66.07 -35.03 79.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 72.32 108.013 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.7 t -61.56 -48.07 82.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 71.14 108.341 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' 2082 ' ' GLN . 5.4 mtp180 -59.98 -38.73 83.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.34 110.233 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' 2091 ' ' SER . 6.5 mtpm? -59.98 -42.39 94.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.54 109.329 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 2092 ' ' GLY . 1.4 t80 -73.35 -48.28 35.51 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.48 1.112 . . . . 71.23 110.994 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -30.37 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.665 1.228 . . . . 51.01 111.048 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.69 -56.74 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 74.45 109.347 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.5 t -72.02 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 61.24 110.021 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.63 83.67 1.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.398 1.061 . . . . 53.01 110.968 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.26 121.45 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 62.54 109.305 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.23 -20.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.41 1.069 . . . . 75.55 109.332 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.3 tptt -62.78 -50.85 69.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 72.11 109.29 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -37.38 75.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 72.45 109.259 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.958 HD21 HG11 ' A' 2044 ' ' VAL . 0.3 OUTLIER -65.61 -47.14 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 71.01 109.299 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -59.59 -43.45 93.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 75.4 110.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 74.2 110.262 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.31 -44.95 84.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 40.12 109.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.622 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.1 OUTLIER -66.37 -30.9 71.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.32 108.054 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.44 -50.64 64.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 74.41 109.284 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.783 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 9.3 mt -57.74 -46.99 83.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.378 1.049 . . . . 74.35 109.23 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.95 -47.06 86.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 72.34 111.051 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.82 -48.59 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 72.42 111.019 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.49 -44.5 96.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.425 1.078 . . . . 74.22 109.502 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.814 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.4 t -61.75 -57.04 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 54.2 109.356 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.071 ' CG ' HD11 ' A' 2031 ' ' LEU . 25.2 m-85 -64.66 -27.34 68.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 74.22 111.021 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.62 ' NE ' ' HZ2' ' A' 2113 ' ' LYS . 3.9 ttm180 -73.93 -26.7 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 63.13 110.242 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -51.98 10.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 74.23 110.287 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.673 HG22 ' HE2' ' A' 2070 ' ' PHE . 11.9 pt -43.18 -34.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 42.31 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 79.1 p -84.0 -53.65 5.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.463 1.102 . . . . 63.41 109.988 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . 0.62 ' HZ2' ' NE ' ' A' 2109 ' ' ARG . 3.5 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 73.32 109.38 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.269 -0.641 . . . . 71.02 109.269 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.577 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -78.44 -51.05 10.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.158 . . . . 74.41 108.05 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m170 -47.15 -22.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 74.4 109.678 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.2 tp10 -68.72 -35.25 76.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 74.15 110.324 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -79.55 -33.09 42.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 61.14 111.082 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.71 ' CH2' HD21 ' A' 2078 ' ' LEU . 64.6 m95 -67.68 -47.71 68.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 71.45 108.005 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -57.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 63.32 109.585 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.2 OUTLIER -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.351 1.032 . . . . 62.25 110.279 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.65 -62.85 5.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 64.41 110.983 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 0.945 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.6 mt -60.21 -32.0 70.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 0.804 . . . . 54.54 109.379 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -54.15 -47.69 71.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 53.31 110.316 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.902 ' OE1' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER -78.15 -50.6 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 72.22 110.29 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -53.7 -46.46 70.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.33 109.256 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' 2031 ' ' LEU . 41.2 t -67.47 -44.08 79.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 65.14 109.968 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.57 -51.93 63.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.363 1.039 . . . . 65.11 110.374 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.902 HD23 ' OE1' ' A' 2033 ' ' GLU . 3.5 pp -70.1 -41.2 74.31 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 72.43 109.345 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.507 ' CD1' HG12 ' A' 2044 ' ' VAL . 49.4 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 65.02 110.965 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.461 ' ND2' ' NZ ' ' A' 2045 ' ' LYS . 19.7 m-20 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.318 -0.623 . . . . 74.22 109.318 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 1.08 HG11 HD21 ' A' 2097 ' ' LEU . 35.8 m -82.76 -27.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 74.25 109.273 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.461 ' NZ ' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.83 -39.53 25.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.385 1.053 . . . . 74.24 109.323 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -57.75 -53.89 41.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 70.33 111.061 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.551 ' HA ' ' HB1' ' A' 2034 ' ' ALA . 4.7 tmm? -53.29 -42.39 66.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 0.731 . . . . 70.52 110.921 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.586 ' HZ ' HD13 ' A' 2097 ' ' LEU . 13.0 m-85 -65.56 -36.98 85.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 70.44 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.549 ' O ' ' CD ' ' A' 2053 ' ' PRO . 26.9 mt-10 -75.63 -14.59 60.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.608 1.192 . . . . 72.23 110.309 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.828 ' O ' HD22 ' A' 2054 ' ' LEU . 18.9 t -84.41 -43.95 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.624 1.203 . . . . 60.15 109.225 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.692 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.88 -45.23 28.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 75.11 109.359 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.448 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.39 -54.41 1.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 71.21 110.341 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.587 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.01 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 71.51 110.988 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.89 -55.37 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 60.43 109.28 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 67.5 m170 -59.81 -52.01 67.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.517 1.136 . . . . 75.3 109.654 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.95 -49.87 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 64.31 109.254 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.13 -37.96 49.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 72.4 110.965 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.577 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -67.9 -35.33 78.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 74.11 111.076 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' 2055 ' ' HIS . 7.3 mm-40 -72.47 -63.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.368 1.042 . . . . 73.43 110.296 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' 2056 ' ' ALA . 15.0 ptm180 -72.09 -14.82 61.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 75.12 110.357 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.54 73.26 0.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.629 1.206 . . . . 45.12 110.974 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 74.3 111.061 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' 2064 ' ' THR . 3.5 tt0 -147.5 -72.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.35 1.031 . . . . 54.51 110.392 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.518 HG23 ' O ' ' A' 2063 ' ' GLN . 12.8 p -156.3 176.69 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 74.55 110.353 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -62.84 -27.63 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 74.11 109.382 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -38.88 78.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 70.14 109.316 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.499 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -78.9 -20.81 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 65.32 110.309 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.2 m -60.2 -26.72 66.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 74.33 110.352 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -32.28 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 63.42 109.939 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.57 ' HE2' HG22 ' A' 2111 ' ' ILE . 32.5 t80 -68.6 -47.91 65.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.456 1.098 . . . . 75.11 111.027 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 4.3 t-20 -71.79 -28.58 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.45 109.31 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.27 -52.4 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 74.12 110.337 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.36 -49.56 5.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 73.11 109.285 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.593 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.2 m-85 -95.34 -16.43 22.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 73.21 110.972 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.25 -33.74 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 72.13 111.075 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . 0.554 ' CD ' ' N ' ' A' 2077 ' ' ASP . 0.0 OUTLIER -79.58 -41.28 27.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 55.2 110.322 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' 2076 ' ' ARG . 13.0 m-20 -62.46 -57.84 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.592 1.182 . . . . 53.4 109.362 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.71 HD21 ' CH2' ' A' 2027 ' ' TRP . 9.1 mp -52.25 -44.3 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 73.44 109.301 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -49.78 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 71.43 110.952 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.0 tt0 -70.88 -48.17 55.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 52.43 110.28 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.623 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.55 -45.1 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 53.22 109.285 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -63.15 -36.92 85.22 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.572 1.17 . . . . 74.5 110.355 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.533 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -62.91 -35.29 79.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 74.45 110.299 179.896 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.7 m95 -76.87 -25.51 53.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.956 -1.127 . . . . 51.45 107.956 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.539 ' SG ' ' CD1' ' A' 2048 ' ' PHE . 3.3 t -70.97 -58.43 3.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.656 1.222 . . . . 75.25 108.326 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.533 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.9 OUTLIER -66.05 -28.27 68.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 72.23 110.339 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -70.09 -38.27 75.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.41 109.307 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.401 ' CE2' HD22 ' A' 2097 ' ' LEU . 14.5 t80 -77.1 -40.79 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 64.5 111.038 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 2.6 mtt -60.43 -44.12 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 62.44 111.032 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -56.92 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.354 1.034 . . . . 75.12 109.277 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.91 81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.13 109.962 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -131.89 -140.02 4.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 42.35 110.971 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -149.56 159.59 44.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.51 0.77 . . . . 75.14 109.312 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -36.98 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 72.13 109.246 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -49.6 44.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.44 1.088 . . . . 75.34 109.301 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -64.78 -39.6 93.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 74.45 109.298 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 1.08 HD21 HG11 ' A' 2044 ' ' VAL . 0.7 OUTLIER -62.68 -46.79 86.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 65.54 109.31 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.8 m -59.02 -39.7 82.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 72.23 110.449 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.416 ' O ' HD12 ' A' 2103 ' ' LEU . 1.5 tt0 -60.44 -50.16 74.71 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.633 1.208 . . . . 64.42 110.373 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -54.01 -49.48 68.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.41 109.3 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.655 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.71 -37.09 80.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 74.41 107.997 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.69 -51.32 70.03 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 73.52 109.291 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.623 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.5 mp -54.84 -53.96 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 70.03 109.317 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.485 ' O ' HG22 ' A' 2107 ' ' VAL . 13.8 m-85 -54.88 -54.51 41.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.5 111.007 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.559 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.76 -38.49 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 75.05 110.961 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -54.47 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.31 109.652 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.632 HG21 HD11 ' A' 2078 ' ' LEU . 0.9 OUTLIER -65.87 -49.93 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.18 . . . . 72.52 109.311 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.945 ' CG ' HD11 ' A' 2031 ' ' LEU . 16.6 m-85 -61.32 -28.68 69.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.357 1.035 . . . . 71.01 111.033 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.559 ' CB ' ' O ' ' A' 2105 ' ' TYR . 28.1 ttt180 -74.96 -32.61 61.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 72.21 110.306 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -70.28 -51.45 30.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 64.34 110.233 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.57 HG22 ' HE2' ' A' 2070 ' ' PHE . 18.1 pt -44.9 -31.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 75.02 109.287 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' 2113 ' ' LYS . 6.0 m -82.43 -57.01 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.31 109.97 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 74.32 109.333 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.477 HD13 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.258 -0.645 . . . . 75.11 109.258 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.589 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.4 m0 -49.15 -48.09 45.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.114 . . . . 72.22 107.991 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.0 m170 -47.15 -22.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 75.02 109.554 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' 2022 ' ' LEU . 14.2 tp10 -70.27 -37.57 74.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 73.41 110.346 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -73.93 -32.36 63.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.622 1.201 . . . . 61.52 111.028 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 61.7 m95 -68.1 -50.15 56.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.97 -1.122 . . . . 73.02 107.97 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -43.7 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 75.34 109.596 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' 2025 ' ' GLU . 5.9 mm-40 -66.49 -40.92 89.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.578 1.174 . . . . 72.25 110.339 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -56.47 -61.95 6.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 62.33 110.952 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 0.946 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.3 mt -59.33 -32.84 70.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 74.34 109.32 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -54.36 38.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 60.25 110.319 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 74.41 110.291 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -53.85 -44.98 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 53.31 109.293 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.7 p -74.31 -47.82 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 75.52 109.944 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -51.19 -51.16 56.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 74.41 110.301 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' 2043 ' ' ASN . 2.9 pp -66.78 -43.34 84.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 72.52 109.343 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.628 ' CD1' HG22 ' A' 2044 ' ' VAL . 48.1 t80 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.327 1.017 . . . . 65.11 111.009 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.6 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.279 -0.637 . . . . 71.33 109.279 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.795 HG12 ' CE2' ' A' 2048 ' ' PHE . 42.8 t -60.96 -25.69 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 75.41 109.338 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -50.61 -33.66 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 70.21 109.309 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -63.33 -53.86 36.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.542 1.151 . . . . 53.44 111.04 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.624 ' CE ' ' CE1' ' A' 2048 ' ' PHE . 8.7 tmm? -52.93 -41.93 64.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.565 0.803 . . . . 45.42 111.032 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.795 ' CE2' HG12 ' A' 2044 ' ' VAL . 14.7 m-85 -68.3 -37.18 80.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 62.33 111.013 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 33.8 mt-10 -76.17 -14.02 60.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.24 110.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.75 ' O ' HD22 ' A' 2054 ' ' LEU . 17.5 t -84.41 -44.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 74.52 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.56 -45.56 30.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 73.42 109.286 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.466 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.11 -55.21 1.02 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 73.22 110.392 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.566 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.99 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 75.12 110.988 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.94 -56.27 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 64.12 109.329 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.583 ' CE1' HD23 ' A' 2078 ' ' LEU . 27.0 m170 -58.88 -52.48 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.063 . . . . 63.34 109.585 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.73 -50.2 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 53.51 109.293 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.522 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.14 -37.23 45.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 65.54 111.011 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.3 mmt -68.93 -32.49 72.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.546 1.154 . . . . 75.24 110.995 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.09 -64.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.32 110.278 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.9 OUTLIER -71.24 -16.96 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 73.55 110.3 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.26 76.35 0.32 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.595 1.185 . . . . 22.11 111.017 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.389 1.731 . . . . 64.44 111.014 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.504 ' C ' HG23 ' A' 2064 ' ' THR . 2.2 tp60 -151.78 -76.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.32 110.349 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.504 HG23 ' C ' ' A' 2063 ' ' GLN . 39.9 p -156.27 179.92 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 73.0 110.388 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -59.87 -27.86 67.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.11 109.326 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -35.21 80.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 54.24 109.254 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -22.45 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 60.4 110.318 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.0 OUTLIER -60.35 -36.62 78.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.31 110.542 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 37.8 m -73.37 -32.0 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 61.22 109.963 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.598 ' HE1' HG22 ' A' 2111 ' ' ILE . 71.6 t80 -66.26 -52.19 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 73.32 111.062 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.506 ' O ' ' CA ' ' A' 2075 ' ' GLY . 2.0 t-20 -66.0 -29.08 69.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 72.21 109.302 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -78.11 -51.44 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 74.24 110.329 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.25 -53.55 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 33.45 109.222 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.639 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.6 m-85 -92.78 -17.42 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 74.32 110.965 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.16 -29.79 0.23 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.612 1.195 . . . . 72.32 110.994 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.83 -45.42 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 71.35 110.232 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' 2074 ' ' TYR . 3.4 m-20 -62.09 -58.09 9.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.32 109.377 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.829 HD11 HG21 ' A' 2107 ' ' VAL . 9.8 mp -52.95 -36.1 59.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 63.05 109.314 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.0 OUTLIER -56.36 -53.84 52.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.433 1.083 . . . . 73.23 110.994 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.679 ' OE1' HD22 ' A' 2103 ' ' LEU . 2.8 pt-20 -72.38 -36.62 68.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.434 1.084 . . . . 72.23 110.243 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -63.28 -41.9 99.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 71.14 109.354 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -33.57 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 70.23 110.309 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -36.71 79.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 71.13 110.266 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' 2080 ' ' GLU . 97.1 m95 -67.76 -37.03 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 73.24 108.121 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.2 t -61.04 -50.65 72.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 74.13 108.383 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -41.56 86.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 74.53 110.261 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.24 -46.12 79.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 74.14 109.289 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.578 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 1.2 t80 -69.78 -46.69 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 75.45 111.041 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.587 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 2.7 mtt -58.38 -27.55 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 65.04 111.062 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -56.23 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 71.51 109.309 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 38.3 m -78.14 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 62.15 110.024 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.57 86.23 1.92 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 43.5 111.014 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.77 118.79 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 52.22 109.303 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -53.79 -30.6 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.592 1.183 . . . . 63.03 109.29 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.14 -50.28 73.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 72.54 109.241 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' 2096 ' ' ASP . 0.0 OUTLIER -67.5 -39.71 85.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.351 1.032 . . . . 54.03 109.238 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.739 HD21 HG21 ' A' 2044 ' ' VAL . 12.5 tp -62.59 -43.0 99.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 74.21 109.308 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 19.4 m -61.07 -47.25 87.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.645 1.216 . . . . 50.42 110.389 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -45.69 81.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 74.22 110.253 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.61 -47.0 88.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.22 109.335 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.735 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -63.69 -30.44 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 74.12 108.071 179.888 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.18 -48.65 67.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 63.14 109.319 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.679 HD22 ' OE1' ' A' 2080 ' ' GLU . 14.2 mt -57.64 -51.63 68.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 64.44 109.301 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.491 ' O ' HG22 ' A' 2107 ' ' VAL . 19.7 m-85 -54.35 -55.67 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 74.04 110.962 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.85 -38.89 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 72.41 110.996 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.94 -54.2 49.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 74.43 109.512 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.829 HG21 HD11 ' A' 2078 ' ' LEU . 0.9 OUTLIER -68.18 -49.03 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 74.23 109.348 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.946 ' CG ' HD11 ' A' 2031 ' ' LEU . 13.6 m-85 -60.34 -29.06 68.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 62.2 110.959 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' A' 2105 ' ' TYR . 1.7 ttm105 -75.29 -35.0 61.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 73.12 110.352 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -67.31 -51.48 52.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 74.42 110.229 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.598 HG22 ' HE1' ' A' 2070 ' ' PHE . 17.1 pt -45.26 -33.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.2 109.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 72.9 m -88.16 -52.92 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 65.1 109.948 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 44.45 109.338 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.667 ' CD1' ' N ' ' A' 2022 ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.283 -0.636 . . . . 74.42 109.283 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.512 ' O ' ' N ' ' A' 2026 ' ' MET . 9.9 m0 -43.95 -52.38 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 73.12 108.053 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.548 ' H ' HD22 ' A' 2022 ' ' LEU . 17.8 m170 -44.07 -37.49 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.517 1.135 . . . . 74.42 109.645 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' 2022 ' ' LEU . 0.8 OUTLIER -60.21 -36.32 77.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 54.24 110.266 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.987 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -71.4 -29.65 65.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 70.51 111.008 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.799 ' HH2' HD21 ' A' 2078 ' ' LEU . 79.3 m95 -71.94 -48.52 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.103 -1.073 . . . . 74.44 108.103 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 m170 -62.94 -59.48 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 63.13 109.608 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.2 tt0 -59.29 -46.45 88.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 71.24 110.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.16 -63.69 4.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 73.23 110.99 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.059 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.3 tp -58.02 -30.39 66.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 0.81 . . . . 73.51 109.291 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.518 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.45 -46.81 76.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 72.14 110.318 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.518 ' N ' ' HG2' ' A' 2032 ' ' GLU . 1.3 tt0 -73.01 -50.51 22.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 64.14 110.34 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.801 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -56.3 -48.9 75.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 75.23 109.283 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 13.0 t -57.64 -43.33 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.42 1.075 . . . . 44.13 110.032 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -34.99 73.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 73.13 110.205 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.801 HD12 ' HA ' ' A' 2034 ' ' ALA . 2.6 mt -70.22 -35.09 73.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 63.22 109.303 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' 2044 ' ' VAL . 69.1 t80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 45.22 111.01 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.475 ' CA ' ' HD3' ' A' 2045 ' ' LYS . 28.6 m-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.28 -0.637 . . . . 63.23 109.28 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 1.029 HG11 HD11 ' A' 2097 ' ' LEU . 14.4 t -67.9 -19.65 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 72.1 109.231 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.475 ' HD3' ' CA ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.77 -40.58 55.29 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.533 1.146 . . . . 70.44 109.332 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.761 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.26 -52.94 33.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.625 1.203 . . . . 74.51 110.981 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.56 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 11.4 tmm? -56.77 -52.88 63.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 70.24 111.028 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.664 ' CD2' ' CE ' ' A' 2089 ' ' MET . 5.9 m-85 -51.38 -46.08 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 61.22 111.068 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.4 pt-20 -73.2 -14.54 61.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 75.13 110.344 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' 2046 ' ' GLY . 24.1 t -87.68 -43.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 75.31 109.361 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.82 HD23 ' N ' ' A' 2051 ' ' LEU . 0.4 OUTLIER -78.01 -39.21 42.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 74.11 109.301 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -42.59 -55.08 7.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 54.33 110.328 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.572 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -75.0 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.657 1.872 . . . . 65.44 110.975 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.987 HD22 ' SD ' ' A' 2026 ' ' MET . 43.8 mt -48.96 -55.42 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 64.54 109.32 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.6 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 35.1 m170 -60.6 -53.04 62.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 75.03 109.526 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.95 -49.73 59.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 70.13 109.269 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.547 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.38 -38.48 53.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 52.01 111.013 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.658 ' HE3' ' HE3' ' A' 2026 ' ' MET . 0.0 OUTLIER -70.26 -30.02 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 75.43 110.99 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.413 ' N ' ' CD ' ' A' 2059 ' ' GLU . 5.2 mm-40 -77.77 -63.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 54.51 110.258 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.9 ptm180 -72.73 -21.77 60.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 71.3 110.272 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.547 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.83 83.68 0.34 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.439 1.087 . . . . 50.14 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.96 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.778 . . . . 71.44 111.027 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 16.6 tp60 -144.76 -71.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 73.44 110.233 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 5.3 t -162.2 175.79 11.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 72.12 110.417 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -39.72 69.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 72.04 109.278 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -57.37 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 64.04 109.271 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 1.7 tp10 -63.63 -31.81 73.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 74.42 110.298 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 29.6 m -54.79 -32.61 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 74.43 110.379 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 44.22 109.97 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.495 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 48.5 t80 -62.81 -53.06 60.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 41.34 110.946 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.72 -29.83 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 72.12 109.277 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -77.41 -53.88 7.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 72.23 110.321 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -52.63 -32.85 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.53 109.324 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.836 ' CD2' HG13 ' A' 2107 ' ' VAL . 3.0 m-85 -90.92 -30.8 16.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 72.34 111.113 179.874 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -42.46 -27.85 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 73.41 110.961 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -44.28 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 0.805 . . . . 75.15 110.294 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' 2074 ' ' TYR . 48.0 m-20 -67.09 -55.09 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 75.33 109.304 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.799 HD21 ' HH2' ' A' 2027 ' ' TRP . 4.5 mp -52.39 -43.87 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 73.55 109.249 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.4 ttm -56.05 -50.76 70.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 74.43 110.996 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.504 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.2 tt0 -65.62 -49.23 69.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 74.43 110.361 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -55.85 -42.14 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.435 1.084 . . . . 73.43 109.381 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.9 OUTLIER -61.27 -36.98 81.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 62.12 110.302 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.499 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 73.41 110.294 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.85 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.0 m95 -74.86 -24.12 58.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 75.22 107.963 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.44 -58.86 4.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 42.52 108.24 -179.895 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.499 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.6 OUTLIER -62.09 -28.44 69.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 73.23 110.27 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.498 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -61.66 -50.59 71.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 73.34 109.27 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.584 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.5 OUTLIER -71.16 -42.57 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 75.13 111.04 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.664 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -55.46 -36.28 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 53.41 110.953 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -56.82 2.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 62.42 109.326 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.2 t -63.0 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 63.3 110.027 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.4 82.98 1.67 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 65.22 110.97 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t30 -162.59 113.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 75.03 109.328 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.3 t -52.46 -28.41 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 61.15 109.294 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -53.06 47.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.33 109.356 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.2 -34.62 78.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 72.2 109.232 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 1.029 HD11 HG11 ' A' 2044 ' ' VAL . 0.3 OUTLIER -65.41 -44.52 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 63.41 109.304 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -59.53 -52.32 66.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 70.42 110.438 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . 0.404 ' O ' HD12 ' A' 2103 ' ' LEU . 1.1 mm-40 -52.77 -49.15 66.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 71.24 110.271 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.89 -48.17 80.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 60.53 109.246 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.56 -32.98 70.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 74.11 108.058 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -51.58 69.0 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.621 1.201 . . . . 75.4 109.278 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.504 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.8 mp -56.18 -52.86 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 54.33 109.279 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.525 ' CE1' ' CE1' ' A' 2055 ' ' HIS . 6.8 m-85 -57.31 -46.04 83.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.2 110.916 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -49.96 -45.9 51.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.54 110.978 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -63.47 -42.55 98.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 43.3 109.59 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.836 HG13 ' CD2' ' A' 2074 ' ' TYR . 2.1 t -60.35 -55.62 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 71.31 109.265 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.059 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -69.11 -27.21 65.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 63.33 111.08 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' 2105 ' ' TYR . 34.3 ttm-85 -77.04 -25.13 52.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.14 110.254 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . 0.445 ' HB3' ' OH ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -78.45 -51.08 10.53 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.389 1.056 . . . . 71.42 110.266 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.51 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 13.0 pt -42.44 -29.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 71.54 109.304 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' 2110 ' ' ARG . 70.3 p -91.94 -50.1 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 73.45 110.01 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 60.31 109.321 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.438 HD12 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.329 -0.619 . . . . 63.13 109.329 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.616 ' CZ3' ' CG ' ' A' 2067 ' ' GLU . 3.8 m0 -66.57 -54.0 28.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 72.34 107.985 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.6 m80 -45.63 -24.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 64.24 109.561 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.1 tt0 -69.94 -36.12 75.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 73.01 110.253 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.525 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -75.79 -32.12 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.12 110.984 -179.958 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.639 ' CH2' HD21 ' A' 2078 ' ' LEU . 63.2 m95 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.33 108.056 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -58.7 4.51 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.125 . . . . 75.41 109.548 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 0.7 OUTLIER -62.66 -44.68 95.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 71.42 110.377 179.931 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.15 -64.36 4.06 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.523 1.139 . . . . 61.05 111.033 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.093 HD22 ' CD2' ' A' 2108 ' ' PHE . 5.0 tp -58.15 -29.64 65.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 70.14 109.296 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 1.8 tm-20 -53.17 -52.15 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 62.31 110.322 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.84 -51.27 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 74.53 110.285 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.891 ' HB1' ' HG3' ' A' 2047 ' ' MET . . . -53.42 -49.44 67.31 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.319 1.012 . . . . 60.1 109.228 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' 2031 ' ' LEU . 19.0 t -61.4 -42.02 98.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 73.4 110.089 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -55.1 -36.85 66.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 73.23 110.374 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.582 HD13 ' HA3' ' A' 2046 ' ' GLY . 4.9 mt -71.52 -39.68 70.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 74.32 109.305 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 54.4 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 72.53 111.027 -179.927 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2046 ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.305 -0.628 . . . . 75.14 109.305 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.4 t -46.53 -31.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -55.26 -34.34 63.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 75.44 109.276 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.582 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -57.41 -55.08 32.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 74.14 110.969 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.891 ' HG3' ' HB1' ' A' 2034 ' ' ALA . 24.4 ttp -54.64 -54.8 36.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 0.732 . . . . 74.3 111.052 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.699 ' CD2' ' HE3' ' A' 2089 ' ' MET . 9.3 m-85 -52.46 -36.93 55.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 70.42 110.973 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.55 ' O ' ' CD ' ' A' 2053 ' ' PRO . 22.7 mt-10 -76.59 -16.19 59.65 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.472 1.107 . . . . 73.25 110.27 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.666 HG12 HD23 ' A' 2051 ' ' LEU . 2.6 t -86.15 -41.93 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 71.03 109.307 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' 2051 ' ' LEU . 0.1 OUTLIER -78.1 -44.6 25.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 64.43 109.33 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -37.3 -54.74 1.95 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 75.31 110.374 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.559 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.1 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 51.14 110.959 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.519 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 19.6 mt -49.07 -57.73 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.42 109.345 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 38.4 m170 -59.53 -50.45 73.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 73.5 109.593 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' 2052 ' ' GLU . . . -52.57 -47.07 67.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 74.52 109.216 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.525 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.71 -39.78 58.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 75.12 110.953 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.612 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 3.6 mmt -70.32 -30.27 67.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 72.14 110.916 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.08 -63.14 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 73.34 110.306 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' 2056 ' ' ALA . 13.5 ptt180 -74.74 -16.01 60.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 74.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.2 74.19 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 70.31 110.971 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 64.1 110.989 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.16 -70.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 71.01 110.324 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' 2066 ' ' LYS . 6.8 t -171.91 170.82 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 75.31 110.382 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -29.34 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 64.04 109.309 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . 0.586 ' HB2' HG23 ' A' 2064 ' ' THR . 13.7 mtpt -68.49 -37.51 80.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 74.33 109.205 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.616 ' CG ' ' CZ3' ' A' 2023 ' ' TRP . 2.6 tp10 -85.42 -21.33 28.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 73.04 110.294 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 15.3 m -55.41 -32.17 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 64.23 110.435 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -33.44 73.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.627 1.204 . . . . 74.25 110.002 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 42.1 t80 -66.73 -53.27 35.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 70.31 111.063 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.544 ' O ' ' CA ' ' A' 2075 ' ' GLY . 3.8 t30 -62.39 -30.21 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 73.51 109.263 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -79.17 -49.97 11.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 71.41 110.302 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.81 -54.16 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 73.42 109.387 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.662 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.8 m-85 -93.32 -19.81 20.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 72.01 110.953 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.544 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.46 -30.26 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 72.31 111.03 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.6 OUTLIER -80.92 -44.74 17.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.513 0.772 . . . . 74.23 110.252 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' 2074 ' ' TYR . 23.5 m-20 -61.03 -58.96 6.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.353 1.033 . . . . 60.13 109.269 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.639 HD21 ' CH2' ' A' 2027 ' ' TRP . 8.6 mp -50.93 -44.53 60.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 44.41 109.198 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.2 mtt -50.83 -49.46 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.32 110.992 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 15.6 tt0 -71.93 -47.42 52.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.15 110.297 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.5 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -54.88 -42.66 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 31.12 109.318 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' A' 2085 ' ' CYS . 3.9 tt0 -64.9 -37.48 87.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 70.32 110.317 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' 2084 ' ' TRP . 0.0 OUTLIER -62.68 -39.61 94.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 51.44 110.253 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.449 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.0 m95 -69.28 -34.03 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.934 -1.135 . . . . 74.23 107.934 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.606 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.8 t -58.29 -56.59 20.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 65.04 108.337 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -40.01 71.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 74.22 110.271 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' 2091 ' ' SER . 1.6 mtpp -57.67 -46.71 83.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 64.14 109.277 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.535 ' CZ ' HD22 ' A' 2097 ' ' LEU . 7.2 t80 -73.37 -34.31 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 72.42 111.056 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.699 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.7 mtt -65.13 -35.32 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 71.23 110.931 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -56.96 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 73.33 109.232 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.9 t -62.97 -64.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 54.4 109.991 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 97.89 79.3 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 55.5 111.033 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.93 109.56 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 73.54 109.341 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -48.19 -35.59 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.624 1.202 . . . . 74.24 109.258 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.4 tttp -49.66 -52.25 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 61.44 109.216 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.3 109.326 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.535 HD22 ' CZ ' ' A' 2088 ' ' TYR . 11.8 tp -63.74 -47.88 79.28 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 75.03 109.292 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 25.8 m -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 75.2 110.368 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -47.18 85.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 74.35 110.324 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -61.2 -41.88 97.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 63.3 109.341 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.463 ' NE1' ' SD ' ' A' 2047 ' ' MET . 1.9 m95 -60.74 -41.04 94.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.961 -1.125 . . . . 74.13 107.961 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -50.2 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 73.43 109.278 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 4.9 mp -54.23 -54.18 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 63.21 109.328 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.566 ' O ' HG22 ' A' 2107 ' ' VAL . 11.8 m-85 -54.99 -57.75 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 63.21 111.074 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -50.04 -33.33 17.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 73.23 111.024 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -52.99 59.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 72.42 109.541 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.662 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.4 m -68.67 -45.35 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 74.23 109.271 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.093 ' CD2' HD22 ' A' 2031 ' ' LEU . 14.4 m-85 -64.51 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 54.12 111.038 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.55 ' CB ' ' O ' ' A' 2105 ' ' TYR . 5.3 ttm-85 -78.01 -34.33 50.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 72.14 110.3 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.12 -51.41 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 75.23 110.289 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.531 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 18.1 pt -44.73 -38.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 72.13 109.288 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.1 OUTLIER -82.94 -53.23 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 71.45 109.993 -179.922 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 71.1 109.28 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' 2024 ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 73.11 109.269 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.638 ' CG ' ' HE1' ' A' 2058 ' ' MET . 4.8 m0 -48.29 -50.7 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 72.55 108.025 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.62 ' N ' HD23 ' A' 2022 ' ' LEU . 1.4 m170 -44.51 -25.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 70.45 109.579 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' 2022 ' ' LEU . 3.9 tp10 -70.07 -36.7 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 71.32 110.259 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.655 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.0 OUTLIER -70.56 -39.01 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 74.23 111.018 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.717 ' CH2' HD21 ' A' 2078 ' ' LEU . 41.7 m95 -65.94 -46.29 78.71 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.958 -1.127 . . . . 75.5 107.958 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -58.49 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 71.3 109.641 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.36 -42.67 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.412 1.07 . . . . 62.15 110.345 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.48 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.68 -64.47 3.88 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.43 1.081 . . . . 74.34 110.965 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 0.876 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.9 mt -56.32 -32.16 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 73.42 109.278 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -53.88 40.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 65.05 110.326 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.62 -48.0 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 71.21 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -52.47 -49.13 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 71.34 109.329 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' 2031 ' ' LEU . 8.0 t -60.69 -48.21 82.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 61.52 109.97 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -50.99 -34.76 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 63.33 110.342 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.776 HD13 ' C ' ' A' 2046 ' ' GLY . 2.0 mt -71.44 -49.47 41.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 75.15 109.384 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.624 ' HD1' HG12 ' A' 2044 ' ' VAL . 85.3 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 70.32 110.991 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.41 ' HA ' ' HD3' ' A' 2045 ' ' LYS . 22.6 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.321 -0.622 . . . . 60.14 109.321 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.915 HG21 HD11 ' A' 2097 ' ' LEU . 34.1 m -70.43 -16.64 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.513 1.133 . . . . 74.13 109.237 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.56 -45.23 56.92 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.525 1.141 . . . . 73.05 109.274 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.776 ' C ' HD13 ' A' 2037 ' ' LEU . . . -52.82 -54.05 30.18 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.142 . . . . 51.43 110.944 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.615 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 7.3 tmm? -52.83 -52.21 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 54.31 111.057 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.585 ' CD2' ' HE3' ' A' 2089 ' ' MET . 10.5 m-85 -51.95 -40.93 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 71.33 111.049 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 27.1 mt-10 -76.69 -15.33 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 75.51 110.333 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.569 ' C ' ' HD2' ' A' 2053 ' ' PRO . 5.9 t -87.43 -43.26 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 65.41 109.302 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.842 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -77.21 -39.58 48.14 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 65.23 109.356 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.2 OUTLIER -41.93 -55.72 5.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 75.01 110.293 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.569 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.9 -50.78 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.512 1.796 . . . . 71.42 111.05 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.615 HD22 ' CG ' ' A' 2026 ' ' MET . 13.8 mt -49.02 -55.3 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 72.4 109.301 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 61.6 m170 -60.74 -53.7 54.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 73.21 109.628 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -49.63 -48.79 48.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 64.53 109.266 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.524 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -52.44 -39.99 61.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 65.25 110.985 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.638 ' HE1' ' CG ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -70.39 -28.15 64.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 72.11 111.062 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' 2055 ' ' HIS . 2.3 mm-40 -77.19 -63.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 71.13 110.37 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -74.92 -20.87 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.43 110.291 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.5 0.3 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.578 1.174 . . . . 71.24 111.013 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.513 1.796 . . . . 73.25 111.031 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.412 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.0 OUTLIER -139.91 -62.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.684 1.24 . . . . 73.52 110.264 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' 2067 ' ' GLU . 1.1 t 179.59 169.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 44.2 110.393 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -50.96 -28.61 10.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 74.25 109.425 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 12.8 tttp -70.1 -35.07 73.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 64.45 109.33 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' 2064 ' ' THR . 15.0 mm-40 -86.92 -19.43 28.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.48 1.112 . . . . 62.21 110.278 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . . . . . . . . . 17.5 m -57.9 -29.62 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 64.54 110.32 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 88.3 p -74.87 -34.22 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.368 1.043 . . . . 73.23 109.963 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.555 ' HE2' HG22 ' A' 2111 ' ' ILE . 41.3 t80 -66.29 -46.35 77.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 73.34 110.912 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' 2075 ' ' GLY . 36.3 t30 -73.22 -27.86 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.31 109.361 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.78 -54.53 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.04 110.28 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.27 -42.87 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 74.01 109.305 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.624 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 16.8 m-85 -99.71 -18.92 17.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 75.22 111.0 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -40.7 -29.54 0.27 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 74.04 111.028 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' 2074 ' ' TYR . 1.8 ttm180 -77.74 -46.25 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 75.32 110.396 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.59 ' HB2' HG11 ' A' 2107 ' ' VAL . 18.1 m-20 -62.94 -57.07 12.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.23 109.336 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.717 HD21 ' CH2' ' A' 2027 ' ' TRP . 10.0 mp -51.3 -45.55 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.641 1.213 . . . . 75.42 109.341 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 16.9 mmm -51.0 -51.15 55.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 75.01 110.994 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 25.2 tt0 -71.57 -48.76 46.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.32 110.353 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.15 -42.29 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 70.33 109.325 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.65 -40.03 95.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 73.4 110.323 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.589 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -58.16 -39.6 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 64.21 110.348 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.644 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.2 m95 -71.58 -31.46 66.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 73.41 107.999 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.468 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 9.2 t -68.6 -59.45 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 54.04 108.287 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.589 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.2 OUTLIER -62.01 -35.64 79.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 63.42 110.324 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.12 -31.57 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 74.14 109.254 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' 2088 ' ' TYR . 0.2 OUTLIER -78.73 -32.41 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 64.52 111.08 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.585 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -71.98 -33.96 68.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 73.44 110.983 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -21.44 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 74.21 109.122 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . . . . . . . . . 22.9 t -112.97 -75.19 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 72.33 109.953 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 110.23 110.61 3.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.448 1.092 . . . . 73.24 110.876 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -170.26 113.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 0.707 . . . . 61.33 109.305 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' 2095 ' ' LYS . 1.4 p -53.63 -44.28 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 65.12 109.352 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . 0.409 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.0 OUTLIER -49.1 -47.06 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 62.2 109.299 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . 0.539 ' OD2' ' C ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -64.01 -40.16 95.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 71.55 109.293 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.915 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -57.72 -47.28 82.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 75.23 109.294 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.9 m -59.89 -43.79 94.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.64 1.213 . . . . 61.41 110.372 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -49.3 78.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 73.03 110.385 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -58.9 -50.12 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 70.13 109.34 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.642 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.2 OUTLIER -58.2 -32.01 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.114 . . . . 74.22 107.991 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.18 -51.68 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 60.21 109.323 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.58 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.4 mp -54.06 -52.86 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.354 1.034 . . . . 75.54 109.302 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.519 ' O ' HG22 ' A' 2107 ' ' VAL . 10.3 m-85 -54.89 -56.37 20.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 73.35 111.041 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.566 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.56 -35.63 9.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 75.24 111.038 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -54.68 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 74.22 109.602 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.688 HG21 HD11 ' A' 2078 ' ' LEU . 1.4 m -67.98 -48.43 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.188 . . . . 73.12 109.348 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.876 ' CG ' HD11 ' A' 2031 ' ' LEU . 19.4 m-85 -60.75 -29.34 69.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 71.31 111.059 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.566 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.7 ttm180 -74.23 -38.67 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 72.02 110.362 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -63.78 -51.38 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 61.14 110.293 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.555 HG22 ' HE2' ' A' 2070 ' ' PHE . 23.5 pt -48.0 -31.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 54.14 109.324 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 29.9 t -88.28 -59.48 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 53.12 109.965 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.176 . . . . 62.5 109.279 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.67 HD22 ' CE1' ' A' 2024 ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.272 -0.64 . . . . 73.32 109.272 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.64 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.4 m0 -53.51 -44.69 69.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 71.2 108.034 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.67 ' CE1' HD22 ' A' 2022 ' ' LEU . 4.7 m80 -48.2 -23.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 63.52 109.593 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' 2022 ' ' LEU . 22.4 tp10 -68.42 -34.26 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 52.21 110.289 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.746 ' CG ' HD22 ' A' 2054 ' ' LEU . 0.4 OUTLIER -78.36 -33.67 48.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 75.54 110.954 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.934 ' CH2' HD11 ' A' 2078 ' ' LEU . 6.1 m95 -74.83 -37.03 62.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 75.23 107.981 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.8 OUTLIER -68.22 -58.92 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 74.21 109.613 179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.45 ' N ' ' CD2' ' A' 2028 ' ' HIS . 8.1 pt-20 -68.79 -30.12 68.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 70.34 110.378 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.33 -64.55 4.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 71.52 110.899 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 0.997 HD22 ' CH2' ' A' 2101 ' ' TRP . 5.4 mt -61.59 -32.04 72.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 75.31 109.311 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' 2036 ' ' ARG . 0.0 OUTLIER -53.68 -49.41 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.363 1.04 . . . . 73.03 110.367 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' 2033 ' ' GLU . 0.0 OUTLIER -78.67 -44.6 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.628 1.205 . . . . 74.35 110.373 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.494 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -58.13 -43.27 87.15 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.473 1.108 . . . . 60.13 109.383 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' 2031 ' ' LEU . 59.5 p -77.14 -46.72 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 71.15 110.113 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' 2032 ' ' GLU . 1.3 tmt_? -51.97 -45.87 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 73.4 110.27 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.592 HD21 ' C ' ' A' 2046 ' ' GLY . 1.6 pp -71.5 -44.8 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' 2034 ' ' ALA . 38.9 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 71.52 110.938 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.291 -0.633 . . . . 75.11 109.291 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.866 HG12 ' CE2' ' A' 2048 ' ' PHE . 40.9 t -62.2 -13.17 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 51.11 109.327 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -39.17 74.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.41 109.336 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.592 ' C ' HD21 ' A' 2037 ' ' LEU . . . -56.06 -56.82 22.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 62.21 111.059 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.68 ' CE ' HG13 ' A' 2044 ' ' VAL . 0.1 OUTLIER -59.52 -41.58 90.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 63.23 110.98 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.866 ' CE2' HG12 ' A' 2044 ' ' VAL . 3.0 m-30 -61.77 -41.65 97.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 74.22 111.04 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.566 ' O ' ' CD ' ' A' 2053 ' ' PRO . 6.7 pt-20 -74.08 -13.47 60.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 73.42 110.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.617 HG12 HD23 ' A' 2051 ' ' LEU . 9.3 t -83.12 -46.98 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 72.22 109.213 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.76 -42.73 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 74.34 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -36.06 -53.86 1.5 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 73.4 110.273 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.96 -51.81 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.436 1.756 . . . . 70.45 111.031 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.746 HD22 ' CG ' ' A' 2026 ' ' MET . 20.3 mt -47.76 -54.6 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 41.45 109.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.418 ' CD2' HD13 ' A' 2078 ' ' LEU . 41.8 m170 -62.01 -46.94 87.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 75.23 109.563 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -54.96 -48.67 72.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.34 109.329 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -38.38 58.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 61.33 110.994 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.64 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -65.12 -45.86 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 73.34 111.005 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.82 -62.4 1.83 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 61.25 110.264 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -33.85 76.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.372 1.045 . . . . 64.22 110.289 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -124.73 89.34 0.39 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.409 1.068 . . . . 61.55 111.029 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.448 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -74.98 -94.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 74.24 110.94 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.51 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER 177.32 -82.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 73.14 110.313 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.51 HG23 ' O ' ' A' 2063 ' ' GLN . 0.9 OUTLIER -154.28 -169.06 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 63.22 110.406 -179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.2 OUTLIER -69.71 -27.18 64.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 64.41 109.296 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 17.2 tttt -77.83 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 60.25 109.305 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 3.1 tp10 -54.08 -19.94 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 64.14 110.252 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' 2065 ' ' LEU . 0.8 OUTLIER -54.52 -26.63 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 71.11 110.382 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -40.06 64.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 71.12 110.041 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 38.5 t80 -63.51 -50.75 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.14 110.974 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.555 ' O ' ' CA ' ' A' 2075 ' ' GLY . 42.1 t-20 -64.6 -28.79 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 73.32 109.312 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -78.35 -51.13 10.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 73.04 110.273 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.5 -51.8 4.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.643 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 24.8 m-85 -96.03 -12.56 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 71.15 111.023 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.555 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.3 -49.06 3.72 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.482 1.114 . . . . 63.11 110.967 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -46.33 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 73.14 110.204 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -50.28 -59.38 4.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 71.45 109.346 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.934 HD11 ' CH2' ' A' 2027 ' ' TRP . 66.0 mt -54.2 -36.41 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 64.04 109.276 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.36 95.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 74.24 110.977 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.1 tt0 -63.5 -56.22 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 63.12 110.297 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.463 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -52.72 -43.58 65.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 73.01 109.249 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.41 -42.31 86.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 75.02 110.334 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.39 79.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 63.24 110.208 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.801 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.5 m95 -69.01 -32.61 72.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.24 108.041 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 55.8 m -60.13 -57.72 11.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 54.02 108.328 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -57.98 -37.58 74.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 44.45 110.337 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -62.76 -33.89 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.4 109.275 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.86 ' CE2' HD12 ' A' 2097 ' ' LEU . 3.0 t80 -78.26 -47.07 18.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 73.4 110.911 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.7 mtt -58.21 -31.29 67.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 75.13 110.95 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.09 -56.12 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 75.42 109.347 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.7 t -71.53 -64.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 75.01 109.968 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.67 90.26 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 52.42 110.962 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.41 124.5 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.53 109.316 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.7 p -63.9 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 71.42 109.289 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.25 -52.0 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 74.22 109.358 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . 0.459 ' CB ' ' HE2' ' A' 2087 ' ' LYS . 0.0 OUTLIER -67.36 -36.03 80.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 74.22 109.293 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.86 HD12 ' CE2' ' A' 2088 ' ' TYR . 2.1 tt -62.06 -45.73 92.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 72.22 109.35 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -60.51 -47.1 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.05 110.41 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -50.22 66.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 72.22 110.326 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.801 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.61 -46.32 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 52.54 109.262 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.997 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.62 -35.19 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 73.25 108.101 179.921 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -49.13 77.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 61.25 109.246 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.6 mp -58.62 -53.27 60.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 73.32 109.362 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.595 ' O ' HG22 ' A' 2107 ' ' VAL . 9.8 m-85 -54.83 -57.92 9.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 64.41 111.014 179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' 2109 ' ' ARG . 0.6 OUTLIER -49.27 -35.51 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 75.22 110.926 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . 0.499 ' O ' ' HG3' ' A' 2109 ' ' ARG . 0.2 OUTLIER -63.02 -48.07 80.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.204 . . . . 72.02 109.569 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.643 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.7 m -76.73 -36.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.517 1.135 . . . . 73.1 109.28 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.75 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 6.6 m-85 -70.03 -32.3 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 1.057 . . . . 72.11 110.92 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -82.45 -25.7 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 63.22 110.304 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -72.95 -52.24 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 74.24 110.291 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 4.3 pt -42.47 -28.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 70.3 109.336 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' 2110 ' ' ARG . 10.5 m -87.57 -53.97 4.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 20.32 109.968 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 62.31 109.312 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' 2025 ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.306 -0.627 . . . . 73.25 109.306 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.622 ' CE3' ' SD ' ' A' 2058 ' ' MET . 7.4 m0 -61.18 -49.24 77.99 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.978 -1.119 . . . . 73.45 107.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.8 m170 -46.28 -24.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 73.55 109.577 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' 2023 ' ' TRP . 25.9 tp10 -68.74 -39.24 80.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.41 110.252 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.834 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.64 -31.31 63.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.329 1.018 . . . . 72.11 110.997 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.682 ' CH2' HD21 ' A' 2078 ' ' LEU . 56.9 m95 -67.68 -48.52 66.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 74.22 107.971 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -66.61 -43.86 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 53.32 109.518 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.8 tt0 -64.86 -46.85 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 51.32 110.289 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.512 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -53.11 -58.51 11.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 42.24 111.004 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 0.882 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.6 mt -61.57 -32.28 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 0.732 . . . . 75.52 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -53.2 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 62.23 110.277 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -79.28 -50.34 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.21 110.219 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.568 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.16 -49.39 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 73.32 109.239 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' 2031 ' ' LEU . 14.5 p -70.4 -36.81 74.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 44.32 110.092 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -54.54 -52.66 61.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 72.34 110.34 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.548 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.6 pp -71.97 -41.13 68.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 72.51 109.268 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' 2047 ' ' MET . 34.3 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.02 111.042 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.8 m-20 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.261 -0.644 . . . . 74.51 109.261 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.558 HG21 ' OH ' ' A' 2088 ' ' TYR . 4.5 m -83.63 -11.23 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 61.31 109.314 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -36.79 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 74.02 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.905 ' O ' HG23 ' A' 2050 ' ' VAL . . . -59.77 -56.15 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.546 1.154 . . . . 55.54 110.962 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' 2038 ' ' TYR . 0.5 OUTLIER -63.08 -38.8 92.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 0.732 . . . . 75.1 111.064 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.5 m-85 -69.94 -40.74 75.32 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.463 1.102 . . . . 61.13 111.042 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.586 ' O ' ' CD ' ' A' 2053 ' ' PRO . 16.8 pt-20 -74.89 -13.26 60.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 74.41 110.306 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' 2046 ' ' GLY . 24.3 t -83.46 -45.68 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 60.13 109.254 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.633 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -77.11 -44.61 29.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 74.54 109.316 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 3.1 mt-10 -35.33 -55.61 1.06 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 55.41 110.3 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.586 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -75.04 -49.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 53.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.834 HD22 ' SD ' ' A' 2026 ' ' MET . 15.9 mt -48.85 -56.66 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 72.11 109.285 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 41.3 m170 -60.15 -51.86 67.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 74.25 109.594 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.96 -48.56 60.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 54.34 109.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.526 ' HE2' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.37 -39.38 57.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 71.24 110.932 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.622 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.5 mmt -66.89 -34.11 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 61.32 111.055 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' 2055 ' ' HIS . 1.5 mm-40 -74.4 -63.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 72.33 110.288 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' 2056 ' ' ALA . 48.5 ptt85 -70.27 -18.21 63.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 74.21 110.289 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.43 77.29 0.29 Allowed Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.434 1.084 . . . . 65.02 111.091 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.05 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.768 . . . . 72.51 110.968 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -149.77 -77.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 63.51 110.372 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.548 HG23 ' O ' ' A' 2063 ' ' GLN . 3.2 p -156.16 -166.0 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 75.25 110.396 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -64.24 -26.95 68.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 75.42 109.186 -179.932 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -60.55 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 75.31 109.285 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' 2063 ' ' GLN . 0.5 OUTLIER -57.49 -30.68 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 74.42 110.198 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' 2072 ' ' GLN . 1.0 OUTLIER -54.34 -38.5 66.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.199 . . . . 71.42 110.427 -179.894 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -31.8 62.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 72.23 110.047 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.591 ' HE1' HG22 ' A' 2111 ' ' ILE . 74.9 t80 -69.13 -52.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 74.2 111.005 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.548 ' O ' ' CA ' ' A' 2075 ' ' GLY . 11.0 t30 -64.34 -29.69 70.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 75.31 109.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' 2068 ' ' THR . 17.7 mm-40 -79.66 -51.17 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 71.35 110.28 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.24 -50.58 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.182 . . . . 32.14 109.312 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.629 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.3 m-85 -97.84 -14.66 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 74.51 110.963 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.548 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -43.13 -28.72 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.601 1.188 . . . . 74.34 110.953 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . 0.432 ' CG ' ' N ' ' A' 2077 ' ' ASP . 3.7 ptm85 -78.8 -45.48 20.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 0.804 . . . . 73.42 110.204 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.445 ' HB2' HG11 ' A' 2107 ' ' VAL . 13.4 m-20 -64.03 -56.39 15.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.388 1.055 . . . . 62.13 109.367 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.682 HD21 ' CH2' ' A' 2027 ' ' TRP . 10.3 mp -51.12 -44.82 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 74.52 109.32 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 34.9 mmm -53.45 -50.53 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 71.41 110.989 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . 0.507 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 24.7 tt0 -71.1 -46.95 60.78 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.451 1.094 . . . . 72.13 110.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.64 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.7 -44.2 69.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 73.02 109.334 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -38.41 91.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 73.33 110.251 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -60.66 -36.9 79.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 74.33 110.38 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.7 m95 -76.0 -25.32 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 71.02 107.999 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.4 t -71.11 -59.11 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 70.12 108.405 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . 0.487 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 4.9 ptt180 -65.4 -28.81 69.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 73.43 110.313 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -69.03 -38.23 79.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 75.2 109.306 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.597 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.1 OUTLIER -75.29 -38.07 60.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.583 1.177 . . . . 75.44 111.064 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . 0.457 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 3.3 mtt -66.72 -34.22 77.36 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.583 1.177 . . . . 63.31 110.999 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -36.41 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 72.31 109.294 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.9 t -90.5 -71.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 43.32 109.961 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 108.98 99.15 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 42.52 110.938 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -168.67 115.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 61.44 109.26 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -54.72 -39.96 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 62.32 109.35 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -52.41 -48.06 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 65.41 109.262 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . 0.418 ' OD2' ' CE ' ' A' 2087 ' ' LYS . 10.4 m-20 -67.69 -34.17 76.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 63.23 109.257 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.597 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 37.7 tp -64.71 -50.01 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 61.13 109.314 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.9 m -59.8 -47.35 86.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 73.42 110.362 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -51.95 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 74.12 110.31 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -53.69 -50.39 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 73.52 109.291 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.648 ' CZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -58.66 -33.78 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 75.1 107.967 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -50.28 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 74.32 109.304 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.64 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.8 mp -55.8 -53.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.15 109.273 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.483 ' O ' HG22 ' A' 2107 ' ' VAL . 15.1 m-85 -57.95 -55.94 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 74.12 111.046 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.548 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.14 -30.61 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.23 110.972 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -69.22 -54.8 12.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 73.5 109.691 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.678 HG21 HD11 ' A' 2078 ' ' LEU . 1.3 m -64.97 -47.46 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.01 109.291 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.882 ' CG ' HD11 ' A' 2031 ' ' LEU . 18.7 m-85 -62.95 -29.37 70.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 70.44 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' 2105 ' ' TYR . 32.0 ttm180 -74.82 -31.74 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.31 110.303 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -71.75 -51.47 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 74.42 110.35 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.591 HG22 ' HE1' ' A' 2070 ' ' PHE . 18.8 pt -45.26 -31.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 71.43 109.331 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -46.08 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 70.42 109.937 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 75.53 109.381 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.315 -0.624 . . . . 52.42 109.315 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.614 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.1 m0 -76.39 -50.15 14.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.019 -1.104 . . . . 74.52 108.019 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.3 m170 -47.89 -22.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 61.5 109.643 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' 2023 ' ' TRP . 53.1 tp10 -73.15 -36.22 66.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 73.13 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.6 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -71.97 -32.7 67.5 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.512 1.133 . . . . 73.4 110.99 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.694 ' CZ3' HG11 ' A' 2107 ' ' VAL . 82.5 m95 -71.95 -51.86 19.99 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.545 1.153 . . . . 62.43 108.046 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' 2032 ' ' GLU . 1.2 t60 -52.56 -60.08 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 64.21 109.648 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' 2032 ' ' GLU . 10.3 pt-20 -67.93 -31.17 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 75.21 110.275 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' 2026 ' ' MET . . . -58.5 -66.55 2.73 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 45.53 111.029 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 0.997 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.3 mt -61.22 -30.14 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 60.51 109.317 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . 0.5 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.64 -49.53 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.185 . . . . 51.33 110.357 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.5 ' N ' ' HG2' ' A' 2032 ' ' GLU . 3.2 tt0 -72.34 -49.98 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 75.02 110.351 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.753 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.84 -48.17 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 62.22 109.18 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . . . . . . . . . 8.6 t -57.31 -48.19 79.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 64.35 110.059 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -37.96 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 72.22 110.33 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' 2034 ' ' ALA . 1.8 mt -70.86 -36.67 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 72.1 109.281 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 72.24 110.99 -179.972 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.396 -0.594 . . . . 73.14 109.396 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.691 HG12 ' CD2' ' A' 2048 ' ' PHE . 12.5 t -61.78 -12.69 7.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.407 1.067 . . . . 74.44 109.293 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.19 -40.94 67.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 62.02 109.324 -179.933 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.428 ' C ' HD13 ' A' 2037 ' ' LEU . . . -54.72 -57.39 17.99 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.541 1.151 . . . . 55.35 110.985 179.919 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.536 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 0.2 OUTLIER -56.83 -49.35 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 73.41 111.024 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.691 ' CD2' HG12 ' A' 2044 ' ' VAL . 2.0 m-85 -61.64 -34.94 76.56 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 74.51 111.065 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.515 ' O ' ' CD ' ' A' 2053 ' ' PRO . 4.6 mm-40 -76.89 -14.53 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 71.2 110.282 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.993 ' O ' HD22 ' A' 2054 ' ' LEU . 2.9 t -85.54 -42.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 65.05 109.358 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -78.03 -43.86 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 72.2 109.293 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.482 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -37.12 -52.96 2.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 74.05 110.387 179.913 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.604 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.97 -51.1 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.323 1.696 . . . . 63.51 110.939 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.04 -55.83 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 54.52 109.367 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 41.3 m170 -62.07 -48.44 80.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.12 109.597 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.84 -50.73 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 65.53 109.27 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.41 -37.62 49.36 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.43 1.081 . . . . 53.41 111.055 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.614 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.7 OUTLIER -66.56 -40.65 89.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 75.1 111.022 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.94 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 62.21 110.421 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -65.65 -39.19 91.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 72.43 110.31 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.58 81.75 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 55.02 111.068 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.489 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.1 Cg_endo -74.98 -94.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 62.33 110.984 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.37 -82.87 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.368 1.042 . . . . 72.53 110.241 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' 2068 ' ' THR . 7.5 t -155.27 167.14 31.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.5 110.459 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -27.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 63.43 109.281 -179.885 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . 0.454 ' H ' HG23 ' A' 2064 ' ' THR . 10.3 tttt -74.13 -41.52 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 75.04 109.352 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' 2064 ' ' THR . 3.0 tp10 -81.96 -19.59 40.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 64.43 110.229 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' 2064 ' ' THR . 6.1 m -56.71 -27.36 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 63.34 110.384 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.0 t -68.71 -52.16 33.79 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 75.33 109.954 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' 2070 ' ' PHE . 5.9 t80 -63.94 -53.81 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.34 111.017 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' 2075 ' ' GLY . 13.2 t-20 -50.31 -35.18 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 65.53 109.339 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.29 -55.2 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.01 110.326 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.29 -41.81 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 52.42 109.288 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.749 ' HD2' HG13 ' A' 2107 ' ' VAL . 5.2 m-85 -93.98 -32.86 13.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 63.34 111.056 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -45.46 -25.87 1.44 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 75.34 110.959 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -80.97 -35.42 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 64.54 110.333 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.9 m-20 -67.03 -60.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 73.13 109.257 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.655 ' N ' HD13 ' A' 2078 ' ' LEU . 0.1 OUTLIER -52.27 -45.54 65.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 73.34 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.5 mtp -51.66 -50.53 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.553 1.158 . . . . 70.3 111.013 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.91 -56.73 14.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 74.11 110.358 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.862 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -54.31 -40.71 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.33 109.271 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 64.3 110.266 -179.855 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.58 76.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 72.1 110.298 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.52 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 78.4 m95 -66.81 -35.08 79.23 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.521 1.138 . . . . 65.31 108.017 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.617 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 22.4 t -65.16 -52.23 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 71.53 108.304 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -40.19 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 74.02 110.352 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.52 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.1 OUTLIER -67.33 -32.28 73.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 75.11 109.297 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 4.3 t80 -78.95 -47.9 15.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.388 1.055 . . . . 71.33 111.051 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 6.1 mmm -58.01 -34.87 70.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 75.4 110.999 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -56.13 3.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 63.21 109.269 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.3 t -72.52 -67.09 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 73.24 110.012 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 99.58 88.13 1.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.586 1.179 . . . . 73.53 111.053 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.41 125.35 11.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.574 0.808 . . . . 73.21 109.234 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 p -60.41 -42.83 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 72.54 109.339 179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.64 -47.13 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 72.21 109.217 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' 2096 ' ' ASP . 1.7 t0 -66.62 -40.97 89.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 63.41 109.381 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' 2097 ' ' LEU . 1.7 tp -62.17 -45.61 92.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 70.21 109.303 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.7 m -58.25 -48.35 80.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 44.31 110.38 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -46.1 77.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.623 1.202 . . . . 72.02 110.334 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -56.83 -42.86 80.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.43 109.28 -179.915 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.997 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -66.89 -29.48 69.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 72.22 108.026 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -50.74 70.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 73.53 109.189 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.862 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 2.3 mt -59.38 -52.65 64.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 74.12 109.331 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . 0.445 ' CE1' ' CE1' ' A' 2055 ' ' HIS . 16.6 m-85 -56.74 -51.67 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 71.4 110.939 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -47.35 -45.62 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.02 111.007 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.17 99.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 65.51 109.642 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' 2074 ' ' TYR . 2.2 t -62.62 -58.26 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.067 . . . . 63.11 109.28 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 0.854 ' CG ' HD12 ' A' 2031 ' ' LEU . 52.3 m-85 -63.97 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 73.01 111.005 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -77.06 -43.56 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 72.45 110.3 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -52.18 66.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 71.3 110.308 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.563 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 23.6 pt -44.02 -31.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 72.54 109.311 179.921 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 35.6 m -83.47 -50.06 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 64.52 110.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.31 109.269 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2022 ' ' LEU . . . . . 0.711 HD22 ' HB2' ' A' 2025 ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 109.251 -0.648 . . . . 64.31 109.251 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2023 ' ' TRP . . . . . 0.552 ' HB3' ' HE1' ' A' 2058 ' ' MET . 18.9 m0 -79.74 -46.47 16.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 72.2 108.016 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2024 ' ' HIS . . . . . 0.462 ' CD2' ' H ' ' A' 2024 ' ' HIS . 2.6 m170 -48.51 -23.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.31 109.554 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2025 ' ' GLU . . . . . 0.711 ' HB2' HD22 ' A' 2022 ' ' LEU . 5.6 tp10 -65.62 -33.23 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 64.03 110.242 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2026 ' ' MET . . . . . 0.791 ' HB2' HD22 ' A' 2054 ' ' LEU . 0.4 OUTLIER -78.83 -35.91 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 70.31 110.855 -179.833 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2027 ' ' TRP . . . . . 0.567 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 64.0 m95 -67.64 -39.79 84.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 75.12 107.944 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -59.33 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.088 . . . . 75.02 109.594 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2029 ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -62.76 -36.4 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 64.33 110.338 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2030 ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.14 -64.66 3.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 65.41 111.019 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2031 ' ' LEU . . . . . 1.095 HD22 ' CD2' ' A' 2108 ' ' PHE . 2.4 tp -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 74.54 109.344 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -55.58 -52.32 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 74.32 110.213 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2033 ' ' GLU . . . . . 0.403 ' HA ' ' HB2' ' A' 2036 ' ' ARG . 0.0 OUTLIER -73.27 -52.11 15.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 75.43 110.259 -179.88 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2034 ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.97 -50.74 65.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 24.31 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2035 ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.2 p -67.35 -32.18 72.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 62.21 110.045 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2036 ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' 2033 ' ' GLU . 0.5 OUTLIER -60.59 -52.62 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 75.02 110.316 -179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2037 ' ' LEU . . . . . 0.573 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.3 pp -72.26 -40.72 67.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 71.04 109.341 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2038 ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' 2101 ' ' TRP . 38.9 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 72.33 111.088 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2043 ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.0 m-20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.191 -0.67 . . . . 63.23 109.191 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2044 ' ' VAL . . . . . 0.534 ' CG1' ' CE1' ' A' 2048 ' ' PHE . 3.1 t -83.1 -28.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 60.52 109.332 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2045 ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -55.5 -34.27 64.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 42.14 109.315 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2046 ' ' GLY . . . . . 0.764 ' O ' HG23 ' A' 2050 ' ' VAL . . . -50.32 -52.32 28.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.579 1.174 . . . . 74.13 111.072 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2047 ' ' MET . . . . . 0.596 ' HE2' ' CD1' ' A' 2048 ' ' PHE . 26.2 ttp -67.75 -54.99 14.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 52.24 111.043 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2048 ' ' PHE . . . . . 0.596 ' CD1' ' HE2' ' A' 2047 ' ' MET . 22.4 m-85 -52.66 -49.52 65.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 74.33 111.01 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2049 ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -67.02 -17.61 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.14 110.38 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2050 ' ' VAL . . . . . 0.781 HG12 HD23 ' A' 2051 ' ' LEU . 2.9 t -84.79 -44.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 72.21 109.321 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2051 ' ' LEU . . . . . 0.807 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -78.19 -42.1 32.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 73.42 109.26 -179.903 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2052 ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.9 OUTLIER -37.24 -54.24 2.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 71.23 110.328 179.917 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.398 1.736 . . . . 75.52 110.996 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2054 ' ' LEU . . . . . 0.791 HD22 ' HB2' ' A' 2026 ' ' MET . 36.8 mt -49.0 -56.42 9.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 74.33 109.341 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2055 ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' 2051 ' ' LEU . 34.3 m170 -59.74 -50.68 72.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 75.02 109.638 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2056 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.43 -50.66 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 52.11 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2057 ' ' MET . . . . . 0.478 ' HE2' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -50.42 -39.19 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 74.53 110.938 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2058 ' ' MET . . . . . 0.758 ' HE3' ' SD ' ' A' 2026 ' ' MET . 0.1 OUTLIER -66.93 -35.32 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.14 111.044 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2059 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.2 mm-40 -74.16 -63.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.11 110.308 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2060 ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.4 ptt85 -72.38 -8.84 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 65.12 110.213 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2061 ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -129.62 62.75 0.64 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.167 . . . . 70.52 110.954 -179.889 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2062 ' ' PRO . . . . . 0.438 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.96 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 74.13 111.012 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2063 ' ' GLN . . . . . 0.482 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -132.96 -68.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 63.14 110.262 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2064 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.38 164.65 4.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 61.34 110.319 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2065 ' ' LEU . . . . . 0.606 ' O ' HD13 ' A' 2065 ' ' LEU . 0.3 OUTLIER -49.55 -27.98 5.05 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 73.44 109.332 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -42.81 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.628 1.205 . . . . 70.34 109.278 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2067 ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 18.9 tp10 -75.65 -22.12 57.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 64.43 110.373 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2068 ' ' THR . . . . . 0.438 HG22 ' NE2' ' A' 2072 ' ' GLN . 20.2 m -54.47 -27.11 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 74.53 110.372 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.4 m -53.98 -43.71 70.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 72.35 109.983 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2070 ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' 2071 ' ' ASN . 0.7 OUTLIER -69.81 -53.83 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.33 111.038 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2071 ' ' ASN . . . . . 0.515 ' N ' ' CD1' ' A' 2070 ' ' PHE . 60.8 t-20 -48.63 -36.22 15.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 25.13 109.263 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2072 ' ' GLN . . . . . 0.438 ' NE2' HG22 ' A' 2068 ' ' THR . 34.1 mt-30 -78.74 -45.35 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 72.01 110.273 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -44.37 -34.75 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 50.3 109.271 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2074 ' ' TYR . . . . . 0.951 ' OH ' HG23 ' A' 2111 ' ' ILE . 71.0 m-85 -108.55 -27.45 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 71.22 110.961 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -41.71 -26.53 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.575 1.172 . . . . 50.3 110.987 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2076 ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.3 OUTLIER -80.57 -46.6 15.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 64.21 110.314 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2077 ' ' ASP . . . . . 0.469 ' HB2' ' CG2' ' A' 2107 ' ' VAL . 9.3 m-20 -66.13 -50.68 63.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 42.04 109.379 179.893 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2078 ' ' LEU . . . . . 0.763 HD13 ' HB3' ' A' 2074 ' ' TYR . 11.1 mp -54.54 -40.76 68.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 74.23 109.238 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2079 ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.1 OUTLIER -58.38 -49.48 77.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 64.45 111.06 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.22 -48.99 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 70.42 110.359 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2081 ' ' ALA . . . . . 0.599 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -58.14 -43.92 87.54 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.55 1.156 . . . . 63.33 109.196 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -64.53 -32.2 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 74.14 110.355 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -35.29 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.317 1.011 . . . . 74.23 110.277 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2084 ' ' TRP . . . . . 0.729 ' CB ' ' HB2' ' A' 2100 ' ' ALA . 89.1 m95 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.876 -1.157 . . . . 72.5 107.876 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2085 ' ' CYS . . . . . 0.424 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 0.9 OUTLIER -68.61 -51.59 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.344 1.027 . . . . 74.33 108.272 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -46.89 87.17 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.52 1.137 . . . . 72.34 110.306 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2087 ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -57.71 -39.11 76.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 63.42 109.22 -179.917 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2088 ' ' TYR . . . . . 0.815 ' CZ ' HD12 ' A' 2097 ' ' LEU . 1.5 t80 -71.15 -40.22 71.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.15 110.995 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -39.05 83.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 63.15 110.989 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.93 -53.8 4.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.4 109.241 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2091 ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.4 t -65.33 -67.21 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 72.24 109.98 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2092 ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 98.16 90.96 1.95 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.449 1.093 . . . . 75.42 110.918 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.53 108.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 0.836 . . . . 72.14 109.312 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 5.9 t -45.94 -41.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 72.13 109.277 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -49.67 -42.21 44.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.631 1.207 . . . . 73.44 109.253 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -69.92 -40.68 75.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 52.15 109.309 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.815 HD12 ' CZ ' ' A' 2088 ' ' TYR . 0.3 OUTLIER -63.37 -43.62 97.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 61.01 109.267 -179.905 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -46.05 92.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 54.42 110.397 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.68 -43.75 97.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 72.34 110.323 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' 2084 ' ' TRP . . . -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 61.2 109.359 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2101 ' ' TRP . . . . . 0.56 ' CD1' ' CZ ' ' A' 2038 ' ' TYR . 0.4 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 65.31 107.986 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -49.72 61.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 63.41 109.31 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2103 ' ' LEU . . . . . 0.599 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 25.0 mt -54.0 -51.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 55.03 109.29 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.72 -45.66 89.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 73.11 110.893 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2105 ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -50.45 -47.93 56.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 60.33 111.002 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -45.21 95.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 72.32 109.601 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2107 ' ' VAL . . . . . 0.833 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.4 t -57.21 -55.78 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 62.52 109.256 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2108 ' ' PHE . . . . . 1.095 ' CD2' HD22 ' A' 2031 ' ' LEU . 8.2 m-85 -65.75 -27.39 68.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.371 1.044 . . . . 74.31 110.971 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 2109 ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 0.1 OUTLIER -74.03 -24.54 59.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 74.4 110.3 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.37 -50.25 12.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.598 1.186 . . . . 75.02 110.322 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2111 ' ' ILE . . . . . 0.951 HG23 ' OH ' ' A' 2074 ' ' TYR . 0.6 OUTLIER -60.09 -26.75 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 73.3 109.3 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 2112 ' ' SER . . . . . . . . . . . . . 18.0 t -82.2 -51.72 7.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.634 1.209 . . . . 72.31 110.047 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 74.14 109.376 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.464 0.173 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -112.45 -23.26 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 3.3 mm? 60.94 16.02 6.58 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 2.4 mt -101.73 143.06 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.03 136.0 41.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.793 HG11 HD13 ' A' 2022 ' ' LEU . 53.0 t -107.0 142.12 24.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.607 1.192 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.0 Cg_endo -75.02 -57.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.496 ' O ' HD12 ' A' 2021 ' ' ILE . 1.6 pp -97.21 90.91 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.793 HD13 HG11 ' A' 2019 ' ' VAL . 0.8 OUTLIER -154.14 -160.09 1.05 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.59 1.181 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.62 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.4 m0 -71.62 -52.86 15.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.035 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.719 ' CD2' ' CZ ' ' A' 2070 ' ' PHE . 3.8 m170 -47.71 -23.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' 2029 ' ' GLU . 1.3 tt0 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.577 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -76.64 -30.87 57.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.703 ' CH2' HD11 ' A' 2078 ' ' LEU . 61.5 m95 -70.35 -51.06 32.69 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 108.089 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -59.35 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.2 OUTLIER -63.62 -36.0 82.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -60.38 -63.9 4.61 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 0.999 HD22 ' CG ' ' A' 2108 ' ' PHE . 7.1 tp -61.17 -34.99 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 0.807 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -45.83 70.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -72.26 -50.31 28.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' A' 2047 ' ' MET . . . -52.13 -49.56 63.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' 2038 ' ' TYR . 0.2 OUTLIER -64.52 -51.69 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -48.71 59.4 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.974 HD12 ' N ' ' A' 2038 ' ' TYR . 2.4 pp -71.43 -42.01 68.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.974 ' N ' HD12 ' A' 2037 ' ' LEU . 17.0 t80 -53.02 -56.54 15.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . 0.404 ' CD1' ' CD2' ' A' 2038 ' ' TYR . 25.8 m-85 -70.55 -29.1 65.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -46.67 -68.92 0.96 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' 2043 ' ' ASN . 7.1 pt-20 -130.41 46.82 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' 2041 ' ' GLU . 0.8 OUTLIER 35.96 37.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' 2041 ' ' GLU . 0.8 OUTLIER -103.85 95.97 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.992 HG11 HD21 ' A' 2097 ' ' LEU . 3.1 m -74.39 -15.41 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -51.1 40.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.673 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.32 -48.81 62.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.486 ' SD ' ' NE1' ' A' 2101 ' ' TRP . 34.8 ttp -52.83 -48.88 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.962 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.502 ' CG ' ' HE3' ' A' 2089 ' ' MET . 23.0 m-85 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.562 ' O ' ' CD ' ' A' 2053 ' ' PRO . 38.8 mt-10 -75.91 -14.47 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' 2046 ' ' GLY . 27.1 t -84.46 -45.09 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.27 34.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.494 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.2 OUTLIER -35.51 -56.66 1.01 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.407 1.067 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.562 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.1 Cg_endo -74.97 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.82 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.577 HD22 ' SD ' ' A' 2026 ' ' MET . 18.5 mt -49.01 -57.0 7.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' 2051 ' ' LEU . 55.9 m170 -58.78 -52.41 65.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.609 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.11 -50.26 59.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.535 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.09 -38.64 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.62 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 5.4 mmt -70.73 -29.94 66.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' 2055 ' ' HIS . 3.2 mt-10 -77.65 -63.53 1.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.1 ptt180 -73.12 -21.59 60.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.41 84.9 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.525 1.803 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -143.63 -78.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.247 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.9 t -164.4 174.08 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -30.97 66.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -33.61 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.52 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 4.0 mm-40 -86.94 -20.64 27.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 10.5 m -54.41 -38.46 66.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 58.1 m -66.09 -33.85 76.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.9 ' CZ ' HG22 ' A' 2111 ' ' ILE . 1.7 t80 -65.73 -54.13 31.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' 2075 ' ' GLY . 28.8 t-20 -61.81 -29.48 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -78.63 -42.47 28.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.66 -45.08 57.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.605 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 34.1 m-85 -99.01 -16.66 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.07 -44.21 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.657 1.223 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -40.2 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -58.94 -60.27 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.703 HD11 ' CH2' ' A' 2027 ' ' TRP . 5.4 mt -52.7 -40.71 63.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 37.6 ttm -54.65 -46.06 73.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.66 -58.99 4.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.78 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -54.86 -40.27 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . 0.4 ' O ' ' HD3' ' A' 2086 ' ' ARG . 3.7 tt0 -58.0 -41.32 82.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.44 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.574 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.2 m95 -66.87 -28.77 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.481 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.5 OUTLIER -71.41 -58.32 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' 2082 ' ' GLN . 12.7 mtp180 -55.34 -39.92 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.574 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -65.5 -38.14 88.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.576 ' CZ ' HD22 ' A' 2097 ' ' LEU . 0.9 OUTLIER -71.13 -46.9 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.502 ' HE3' ' CG ' ' A' 2048 ' ' PHE . 0.8 OUTLIER -59.93 -35.77 75.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -84.99 -55.92 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' 2087 ' ' LYS . 11.1 t -69.33 -68.42 0.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.2 91.78 2.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.075 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.3 t30 -159.81 120.89 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -56.62 -41.0 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -49.49 -48.38 47.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.7 -37.82 85.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.992 HD21 HG11 ' A' 2044 ' ' VAL . 4.4 tp -64.14 -44.34 92.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 8.8 m -61.1 -43.81 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -42.68 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.87 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.486 ' NE1' ' SD ' ' A' 2047 ' ' MET . 2.2 m95 -69.32 -30.51 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.582 1.176 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.33 -50.78 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.78 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 13.1 mt -55.0 -50.4 69.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' 2107 ' ' VAL . 7.2 m-85 -54.36 -54.95 33.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.98 -37.97 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -62.31 -48.62 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -69.53 -49.64 57.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.999 ' CG ' HD22 ' A' 2031 ' ' LEU . 17.6 m-85 -62.07 -30.05 70.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 38.9 ttm180 -74.48 -37.19 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -63.9 -51.42 64.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.9 HG22 ' CZ ' ' A' 2070 ' ' PHE . 19.8 pt -48.75 -33.68 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 4.1 p -86.02 -50.41 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 7.8 tttt -51.34 128.76 23.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 6.5 tpp . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.457 0.17 . . . . 75.3 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -111.99 0.2 15.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 74.14 110.329 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.631 HD12 ' H ' ' A' 2017 ' ' ILE . 0.0 OUTLIER -102.99 -142.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 64.33 109.225 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.631 ' H ' HD12 ' A' 2016 ' ' LEU . 2.5 mp -33.23 138.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.629 1.206 . . . . 74.25 109.339 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.84 138.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 64.13 110.203 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.401 ' H ' HG12 ' A' 2019 ' ' VAL . 1.8 p -62.76 130.71 93.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 60.25 109.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.605 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.4 Cg_endo -74.91 -34.89 3.59 Favored 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.532 1.806 . . . . 72.34 111.092 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.605 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -106.69 94.0 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 75.53 109.27 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' 2025 ' ' GLU . 0.1 OUTLIER -178.54 148.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 71.34 109.268 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.511 ' CD2' ' OE1' ' A' 2067 ' ' GLU . 8.6 m0 -49.57 -51.64 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.022 -1.103 . . . . 72.45 108.022 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 4.6 m80 -47.31 -24.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 64.2 109.626 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.6 tm-20 -66.95 -34.8 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 70.1 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.694 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -77.15 -32.91 56.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 73.51 110.987 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.829 ' HH2' HD11 ' A' 2078 ' ' LEU . 67.6 m95 -64.83 -47.38 78.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.44 108.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -64.83 -58.5 6.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 74.33 109.653 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -57.56 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 73.3 110.29 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.429 ' N ' ' HG3' ' A' 2029 ' ' GLU . . . -58.44 -63.62 5.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 64.11 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 0.929 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.5 mt -60.44 -29.81 69.25 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.592 0.819 . . . . 74.4 109.294 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -54.2 -51.26 64.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.382 1.051 . . . . 73.15 110.239 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -79.4 -47.88 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 72.22 110.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -54.95 -44.33 74.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 35.34 109.312 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.1 m -73.33 -45.94 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 73.03 109.957 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -51.75 -51.06 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 73.54 110.315 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.484 ' CD2' ' HA3' ' A' 2046 ' ' GLY . 2.8 pp -68.11 -39.08 82.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.51 109.335 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.725 ' HD1' HG12 ' A' 2044 ' ' VAL . 66.3 t80 -60.82 -54.18 48.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.13 110.971 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -74.93 -42.97 56.67 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.508 1.13 . . . . 73.24 110.964 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -65.74 -41.03 95.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.424 1.077 . . . . 62.15 111.116 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' 2038 ' ' TYR . 1.5 mm-40 -112.26 -166.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.609 0.829 . . . . 75.44 110.38 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.21 20.45 6.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.594 1.184 . . . . 55.12 110.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -115.29 99.29 7.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 64.11 109.282 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.864 HG11 HD21 ' A' 2097 ' ' LEU . 21.4 m -68.46 -12.59 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 75.34 109.373 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -37.42 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 75.04 109.382 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.648 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.97 -54.34 38.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 62.43 110.987 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.534 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 6.1 tmm? -54.74 -40.73 69.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 73.23 111.089 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' 2052 ' ' GLU . 11.9 m-85 -67.12 -39.28 86.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 75.51 111.037 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.567 ' O ' ' CD ' ' A' 2053 ' ' PRO . 72.4 mt-10 -76.56 -13.69 60.06 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.611 1.194 . . . . 74.42 110.247 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' 2046 ' ' GLY . 25.1 t -84.15 -45.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 64.11 109.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.64 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.19 -45.96 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 73.43 109.284 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.85 -56.28 0.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.522 1.138 . . . . 73.21 110.359 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.567 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.95 -51.09 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.466 1.772 . . . . 64.42 111.002 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.668 HD22 ' SD ' ' A' 2026 ' ' MET . 46.0 mt -49.14 -56.38 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 74.4 109.388 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 57.4 m170 -58.55 -52.96 63.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.388 1.055 . . . . 71.3 109.67 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.79 -46.8 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 70.34 109.283 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.476 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.73 -40.19 59.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 53.52 110.847 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.694 ' HE3' ' CE ' ' A' 2026 ' ' MET . 1.0 OUTLIER -70.09 -31.93 69.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.11 111.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.4 mm-40 -72.05 -63.03 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 65.3 110.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.06 -19.39 60.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 72.04 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.97 80.96 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 52.12 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.15 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 62.34 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.493 ' CG ' HG22 ' A' 2064 ' ' THR . 5.2 tp60 -142.86 -74.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 72.25 110.363 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.493 HG22 ' CG ' ' A' 2063 ' ' GLN . 0.0 OUTLIER -164.35 163.61 22.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.12 110.373 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.6 OUTLIER -51.16 -27.7 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.4 109.328 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -44.08 64.17 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.063 . . . . 65.51 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.511 ' OE1' ' CD2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -78.74 -19.82 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 72.3 110.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' 2064 ' ' THR . 2.2 m -54.16 -27.17 31.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 74.12 110.391 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -35.99 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 62.2 110.01 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.652 ' HE2' HG22 ' A' 2111 ' ' ILE . 60.2 t80 -65.51 -53.23 45.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.13 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.524 ' O ' ' CA ' ' A' 2075 ' ' GLY . 49.2 t30 -64.17 -28.99 70.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 61.52 109.337 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -78.7 -51.96 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 64.44 110.317 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.91 -49.37 5.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.14 . . . . 74.55 109.323 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.601 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.6 m-85 -96.24 -14.4 22.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 73.02 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.07 -40.03 1.65 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.546 1.154 . . . . 75.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -79.06 -53.08 7.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 0.795 . . . . 75.04 110.272 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -51.6 -55.16 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 75.32 109.234 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.829 HD11 ' HH2' ' A' 2027 ' ' TRP . 43.4 mt -52.36 -37.36 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 65.35 109.271 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -47.53 85.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.13 111.035 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.0 tt0 -62.41 -53.66 51.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 62.02 110.332 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.438 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.43 -39.29 64.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.373 1.046 . . . . 44.54 109.301 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 74.21 110.352 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -39.66 93.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 75.22 110.329 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.9 m95 -71.02 -31.61 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.15 108.055 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 94.6 m -61.61 -51.11 69.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.44 108.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.84 98.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 74.3 110.363 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' 2092 ' ' GLY . 4.2 mtpp -52.06 -50.45 61.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 73.44 109.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.07 -44.49 69.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 52.43 111.003 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -49.4 77.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 73.41 111.047 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -59.51 4.8 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.438 1.086 . . . . 70.34 109.202 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.03 61.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 62.31 110.061 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2087 ' ' LYS . . . -102.23 -139.87 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 72.11 111.054 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -148.17 158.87 44.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 60.13 109.394 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -40.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 54.22 109.333 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.0 tttm -49.35 -44.61 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 73.23 109.246 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.4 -36.07 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 65.24 109.35 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.864 HD21 HG11 ' A' 2044 ' ' VAL . 1.5 tp -64.12 -48.62 75.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 74.54 109.25 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.5 m -61.05 -41.42 96.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 74.04 110.408 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -49.09 77.54 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.638 1.211 . . . . 72.11 110.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.46 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.44 109.371 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.69 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -58.55 -40.05 81.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 73.23 107.986 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -51.04 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 71.14 109.22 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' 2107 ' ' VAL . 5.2 mp -54.76 -54.05 47.12 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.146 . . . . 74.34 109.315 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.495 ' O ' HG22 ' A' 2107 ' ' VAL . 14.8 m-85 -55.18 -54.82 38.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 74.03 110.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.07 -36.99 14.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 75.5 111.118 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 73.14 109.582 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.601 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.0 OUTLIER -66.32 -44.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 72.22 109.275 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.929 ' CG ' HD11 ' A' 2031 ' ' LEU . 13.0 m-85 -65.71 -29.74 70.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 75.02 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.0 ttt180 -75.9 -30.81 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 75.43 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' 2112 ' ' SER . 0.1 OUTLIER -72.56 -51.62 19.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 60.14 110.308 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.652 HG22 ' HE2' ' A' 2070 ' ' PHE . 14.9 pt -42.89 -27.96 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 74.44 109.322 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' 2114 ' ' GLN . 0.6 OUTLIER -93.85 -51.41 4.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 71.03 109.982 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 4.8 tptt -39.99 -30.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.494 1.121 . . . . 71.44 109.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' 2112 ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.177 . . . . 75.22 110.307 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.586 0.231 . . . . 75.1 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.65 -25.72 13.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 54.31 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.9 -161.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 64.41 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.708 HG22 ' N ' ' A' 2018 ' ' ARG . 1.6 mp -46.72 -86.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 73.03 109.34 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.708 ' N ' HG22 ' A' 2017 ' ' ILE . 0.2 OUTLIER -100.25 73.68 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 63.32 110.243 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' A' 2020 ' ' PRO . 0.9 OUTLIER -52.9 135.64 47.15 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 65.31 109.255 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.509 ' HG2' HD13 ' A' 2021 ' ' ILE . 17.9 Cg_endo -74.98 -30.19 7.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.442 1.759 . . . . 33.31 110.992 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.509 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -100.3 93.14 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 64.14 109.321 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -166.35 -159.98 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 73.22 109.296 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.573 ' CE3' ' SD ' ' A' 2058 ' ' MET . 10.6 m0 -66.64 -50.91 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.15 . . . . 73.44 107.942 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.29 -22.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 65.35 109.619 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' 2023 ' ' TRP . 3.2 tt0 -75.1 -35.13 61.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 75.22 110.207 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.99 -31.4 66.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 71.34 110.93 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.793 ' HH2' HD11 ' A' 2078 ' ' LEU . 70.6 m95 -74.43 -51.36 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.014 -1.106 . . . . 73.3 108.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.1 t60 -54.33 -55.87 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 71.21 109.606 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 7.4 pt-20 -69.36 -37.18 77.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 74.24 110.306 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -57.28 -65.14 3.78 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.101 . . . . 64.24 110.993 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.152 HD22 ' CG ' ' A' 2108 ' ' PHE . 2.6 tp -60.47 -33.4 72.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 72.24 109.35 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 6.8 mm-40 -53.05 -47.4 68.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 72.32 110.274 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.2 -51.09 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 63.12 110.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.494 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -51.15 -45.57 61.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 54.13 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' 2038 ' ' TYR . 90.2 p -66.27 -48.65 69.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 75.23 110.001 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' 2032 ' ' GLU . 3.2 tpt180 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 72.25 110.322 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.723 HD22 ' HA3' ' A' 2046 ' ' GLY . 4.6 pp -70.93 -40.61 71.97 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.566 1.166 . . . . 55.34 109.285 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.687 ' N ' HD12 ' A' 2037 ' ' LEU . 11.3 t80 -53.98 -56.18 20.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.544 1.152 . . . . 75.33 111.066 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -73.34 -29.33 62.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.669 1.231 . . . . 74.32 111.036 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -47.18 -69.49 0.88 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.465 1.103 . . . . 62.3 111.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' 2042 ' ' ARG . 0.1 OUTLIER -136.68 53.14 1.92 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 0.805 . . . . 61.33 110.301 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' 2041 ' ' GLU . 6.7 tpt180 33.64 39.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 72.42 110.226 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' 2041 ' ' GLU . 13.5 m-20 -106.66 87.52 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 43.22 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.816 HG21 HD11 ' A' 2097 ' ' LEU . 3.3 m -71.88 -11.42 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 61.33 109.218 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -50.27 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.13 109.357 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.723 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -53.6 -50.07 55.03 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 31.23 111.044 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.598 ' H ' HD11 ' A' 2037 ' ' LEU . 35.8 ttp -51.75 -56.86 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 0.718 . . . . 71.54 111.036 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.654 ' CD2' ' CE ' ' A' 2089 ' ' MET . 17.2 m-85 -49.29 -41.66 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.24 111.052 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.533 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.8 mt-10 -76.94 -15.85 59.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 71.55 110.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.837 ' O ' HD22 ' A' 2054 ' ' LEU . 5.1 t -85.6 -43.9 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.414 1.071 . . . . 75.55 109.274 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -76.97 -44.26 31.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 72.34 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -36.82 -54.67 1.69 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.348 1.03 . . . . 60.32 110.286 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.587 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.06 -51.92 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.432 1.753 . . . . 70.24 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.837 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -47.93 -55.57 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 1.063 . . . . 74.03 109.159 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 59.9 m170 -60.97 -53.29 59.11 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 73.53 109.545 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.66 -51.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 73.31 109.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.48 -38.47 44.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 55.24 111.026 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.573 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -67.7 -32.42 73.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 73.22 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.9 mm-40 -77.52 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 70.54 110.325 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -70.35 -18.55 63.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.41 110.274 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.73 77.84 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 42.13 111.087 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 70.13 110.941 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.445 ' OE1' ' NE1' ' A' 2023 ' ' TRP . 0.0 OUTLIER -143.62 -64.55 0.38 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.521 1.138 . . . . 75.43 110.348 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.492 HG23 ' HB2' ' A' 2066 ' ' LYS . 3.7 t -178.0 175.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 62.55 110.423 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.404 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -55.03 -29.27 57.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 73.41 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . 0.492 ' HB2' HG23 ' A' 2064 ' ' THR . 12.5 mttp -66.98 -39.98 87.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 74.42 109.25 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.492 ' CD ' ' CH2' ' A' 2023 ' ' TRP . 1.4 tm-20 -82.98 -20.64 34.76 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 74.01 110.267 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 12.0 m -54.44 -28.62 45.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 61.41 110.485 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -37.05 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 70.21 110.095 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.573 ' CE2' HG22 ' A' 2111 ' ' ILE . 9.7 t80 -64.79 -50.42 66.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 74.25 111.024 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 58.3 t30 -65.16 -29.04 69.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 72.11 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -78.42 -54.0 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 61.23 110.232 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.98 -48.98 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 73.51 109.187 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.57 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 15.1 m-85 -94.25 -15.64 24.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 74.52 111.085 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.67 -49.66 1.88 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 74.41 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -48.08 24.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 0.836 . . . . 60.41 110.288 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.52 -58.69 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 55.41 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.793 HD11 ' HH2' ' A' 2027 ' ' TRP . 55.5 mt -52.57 -42.29 64.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.33 109.26 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.9 mtp -56.04 -44.47 78.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.465 1.103 . . . . 53.11 110.969 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.0 tt0 -66.41 -57.09 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 45.42 110.224 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.36 -41.66 63.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.34 109.264 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' 2085 ' ' CYS . 2.5 tp60 -59.7 -43.38 94.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.11 110.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.14 79.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 72.34 110.269 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.459 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.1 m95 -70.43 -33.4 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.927 -1.138 . . . . 72.14 107.927 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' 2082 ' ' GLN . 6.6 t -61.12 -48.08 83.27 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 60.42 108.344 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -61.81 -43.59 98.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 72.25 110.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.17 -43.77 67.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 53.04 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.66 ' CE2' HD12 ' A' 2097 ' ' LEU . 5.7 t80 -72.72 -53.04 12.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 54.42 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.654 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.4 OUTLIER -46.48 -29.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 74.22 111.027 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -56.15 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 61.22 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -160.96 55.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 63.43 110.031 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 55.29 163.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 73.03 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' 2092 ' ' GLY . 1.4 m-20 162.14 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 74.41 109.291 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -48.94 -36.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 63.51 109.215 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 7.3 tttt -53.53 -50.87 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 70.01 109.288 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.87 -39.62 76.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 51.41 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.816 HD11 HG21 ' A' 2044 ' ' VAL . 0.5 OUTLIER -59.31 -48.49 81.43 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.417 1.073 . . . . 43.41 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.6 m -60.86 -42.51 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 74.35 110.338 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.446 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.1 OUTLIER -63.69 -46.06 87.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 63.31 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -64.23 -49.02 73.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.394 1.059 . . . . 72.54 109.331 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.599 ' HD1' HD22 ' A' 2097 ' ' LEU . 2.5 m95 -56.33 -36.8 69.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.001 -1.111 . . . . 75.55 108.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.6 -50.75 70.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.646 ' O ' HG13 ' A' 2107 ' ' VAL . 5.8 mp -54.53 -53.32 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 72.53 109.283 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.418 ' O ' HG22 ' A' 2107 ' ' VAL . 11.9 m-85 -54.1 -56.65 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 74.43 110.978 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.48 -37.65 17.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 62.52 110.98 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.4 OUTLIER -62.56 -44.31 96.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 75.23 109.619 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -77.78 -38.86 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 72.44 109.247 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.152 ' CG ' HD22 ' A' 2031 ' ' LEU . 8.9 m-85 -68.71 -33.14 73.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 72.43 110.937 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' 2105 ' ' TYR . 8.7 ptm180 -80.04 -33.67 38.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.659 1.224 . . . . 75.51 110.261 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -64.44 -51.38 63.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.533 1.145 . . . . 72.42 110.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.586 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 10.2 pt -44.27 -28.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 73.14 109.247 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 28.8 t -95.21 -55.48 3.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.071 . . . . 71.32 109.964 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -40.9 148.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 73.34 109.305 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.583 1.177 . . . . 64.33 110.233 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.523 0.202 . . . . 74.51 111.027 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -15.55 19.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 73.41 110.289 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' 2016 ' ' LEU . 1.5 mm? 60.97 118.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.181 . . . . 74.21 109.316 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 1.7 tt -56.25 175.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 70.15 109.343 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' 2112 ' ' SER . 5.1 mtm180 -147.18 172.91 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 73.51 110.29 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 6.8 t -95.14 133.6 25.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 71.12 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.483 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.1 Cg_endo -75.04 -26.9 10.41 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.428 1.752 . . . . 51.54 110.968 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.578 ' O ' HD23 ' A' 2022 ' ' LEU . 0.1 OUTLIER -115.46 95.92 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 73.13 109.252 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER 179.77 -170.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 62.21 109.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.591 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -77.17 -51.83 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 72.24 107.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.0 m80 -47.26 -22.47 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 74.33 109.586 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' 2020 ' ' PRO . 31.5 tp10 -73.12 -35.36 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 60.21 110.335 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.527 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.2 OUTLIER -72.79 -31.72 65.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 34.04 110.978 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.826 ' HH2' HD11 ' A' 2078 ' ' LEU . 68.7 m95 -72.9 -50.21 25.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.043 -1.095 . . . . 72.41 108.043 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -54.5 -58.99 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 72.22 109.616 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -69.27 -30.58 68.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.59 1.181 . . . . 55.32 110.321 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' 2026 ' ' MET . . . -62.39 -63.57 4.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 62.51 110.974 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.103 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.9 tp -60.51 -33.65 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 72.13 109.36 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.34 -53.89 47.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.13 110.265 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.26 -50.42 47.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 70.24 110.36 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.802 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -53.07 -48.39 67.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 42.43 109.326 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 33.6 t -57.28 -47.39 81.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 74.15 110.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.1 OUTLIER -54.44 -37.37 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.415 1.072 . . . . 73.11 110.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' 2034 ' ' ALA . 1.8 mt -69.96 -35.79 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 63.51 109.367 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' 2041 ' ' GLU . 65.5 t80 -76.93 -54.43 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 72.12 110.996 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -72.27 -46.6 55.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 71.25 111.067 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -56.91 -55.63 29.17 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.523 1.139 . . . . 74.13 110.999 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' 2038 ' ' TYR . 8.5 pm0 -136.61 -175.14 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 0.732 . . . . 51.4 110.33 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.58 36.78 1.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.43 1.081 . . . . 70.35 110.362 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -96.29 79.45 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 62.51 109.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.781 HG12 ' CD2' ' A' 2048 ' ' PHE . 13.6 t -64.74 -10.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.32 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -71.35 -39.68 71.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 73.24 109.272 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.757 ' O ' HG23 ' A' 2050 ' ' VAL . . . -58.58 -57.41 20.01 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.51 1.132 . . . . 72.24 111.042 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.543 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.51 -43.31 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 43.31 110.993 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.781 ' CD2' HG12 ' A' 2044 ' ' VAL . 1.7 m-85 -69.52 -37.43 77.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.538 1.149 . . . . 75.44 110.999 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 81.4 mt-10 -75.42 -13.54 60.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 74.55 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.928 ' O ' HD22 ' A' 2054 ' ' LEU . 24.5 t -84.95 -44.92 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 71.35 109.274 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -45.13 32.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 72.23 109.181 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.7 mt-10 -35.78 -55.62 1.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 65.23 110.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.571 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.96 -50.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.4 1.737 . . . . 65.51 110.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.05 -55.25 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 65.45 109.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 47.1 m170 -60.67 -51.88 67.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.42 109.624 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.41 -51.51 58.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 72.24 109.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.527 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.92 -37.65 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 72.11 110.996 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.591 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -68.1 -32.78 73.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 74.32 110.998 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.49 -63.2 1.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 74.33 110.339 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' 2056 ' ' ALA . 2.6 ptm85 -72.54 -12.33 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 74.3 110.27 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -124.96 71.04 0.46 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 53.3 110.949 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.01 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.83 . . . . 65.52 110.972 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.434 ' C ' ' CG2' ' A' 2064 ' ' THR . 0.0 OUTLIER -144.54 -84.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 74.53 110.322 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.434 ' CG2' ' C ' ' A' 2063 ' ' GLN . 43.7 p -152.25 -169.18 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 75.2 110.394 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -48.87 -30.76 6.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 70.32 109.152 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -53.27 57.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 73.32 109.322 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.467 ' CG ' ' CH2' ' A' 2023 ' ' TRP . 3.4 tm-20 -58.71 -34.99 71.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 74.35 110.288 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.0 OUTLIER -55.01 -39.8 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 45.43 110.422 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -39.4 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 62.34 109.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.838 ' CZ ' HG22 ' A' 2111 ' ' ILE . 1.3 t80 -64.83 -53.4 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.22 111.046 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.545 ' O ' ' CA ' ' A' 2075 ' ' GLY . 31.0 t30 -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 75.34 109.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -78.81 -51.22 10.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 1.16 . . . . 73.2 110.26 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.03 -51.54 5.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 63.53 109.237 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.585 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 21.8 m-85 -95.48 -13.42 24.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.6 1.187 . . . . 73.14 110.938 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.545 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.56 -43.71 3.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 54.32 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -46.21 26.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.507 0.769 . . . . 73.13 110.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.91 -59.14 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 70.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.826 HD11 ' HH2' ' A' 2027 ' ' TRP . 9.7 mt -51.91 -39.79 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 73.0 109.287 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 9.4 mmm -57.47 -46.56 83.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 70.44 111.028 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.567 ' HG2' HD21 ' A' 2103 ' ' LEU . 22.7 tt0 -65.36 -58.5 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.4 110.355 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.696 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.9 -41.99 64.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 72.5 109.298 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.35 84.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.409 1.068 . . . . 63.21 110.296 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -37.48 87.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.129 . . . . 71.3 110.316 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.57 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 90.9 m95 -65.02 -35.5 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 72.33 108.076 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.0 t -63.51 -57.07 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 75.42 108.262 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.51 -33.54 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 73.44 110.247 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.57 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -71.15 -32.39 68.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 71.13 109.36 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.694 ' CE2' HG11 ' A' 2044 ' ' VAL . 54.9 t80 -79.19 -43.47 23.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 71.12 110.982 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.65 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.6 mtt -65.0 -36.52 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 75.44 110.999 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -58.79 3.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 70.32 109.279 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.37 66.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 74.55 110.059 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.96 15.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 74.31 111.041 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.16 161.81 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 64.34 109.336 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' 2095 ' ' LYS . 0.3 OUTLIER -48.39 -43.13 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.625 1.203 . . . . 75.02 109.363 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . 0.4 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.9 OUTLIER -49.27 -46.36 46.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 73.32 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' 2096 ' ' ASP . 0.5 OUTLIER -66.26 -42.89 87.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 60.13 109.302 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.677 HD22 ' CZ ' ' A' 2088 ' ' TYR . 8.0 tp -60.39 -44.87 95.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 72.43 109.276 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 95.7 m -59.62 -44.13 93.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 72.42 110.453 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.7 78.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 73.05 110.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.38 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 74.41 109.268 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -32.09 73.55 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.983 -1.117 . . . . 72.4 107.983 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -47.67 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 73.43 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.696 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 6.6 mp -54.6 -53.07 59.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 73.22 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.463 ' O ' HG22 ' A' 2107 ' ' VAL . 13.1 m-85 -54.47 -55.06 32.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 71.15 110.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.498 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.8 -37.63 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 75.35 111.001 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -51.41 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.353 1.033 . . . . 60.44 109.64 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -67.71 -48.77 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 74.43 109.263 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.103 ' CG ' HD22 ' A' 2031 ' ' LEU . 13.5 m-85 -61.47 -30.31 70.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 72.11 110.969 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' 2105 ' ' TYR . 6.1 ttt180 -77.12 -33.41 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 74.33 110.305 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -66.25 -52.28 49.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 75.41 110.338 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.838 HG22 ' CZ ' ' A' 2070 ' ' PHE . 11.2 pt -44.35 -38.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 64.11 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . 0.472 ' HB3' ' CZ ' ' A' 2018 ' ' ARG . 18.5 p -79.98 -50.59 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 75.13 110.034 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 131.21 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 74.41 109.341 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 74.44 110.299 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.538 0.208 . . . . 64.04 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -17.37 63.46 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.413 1.071 . . . . 43.33 110.361 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' 2017 ' ' ILE . 0.0 OUTLIER 64.34 12.56 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 62.33 109.232 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' 2016 ' ' LEU . 5.0 mp 62.09 138.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.549 1.155 . . . . 73.32 109.211 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 10.7 tpt85 -100.04 113.66 26.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.618 1.199 . . . . 62.31 110.374 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.43 136.11 27.43 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 73.12 109.22 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.3 Cg_endo -74.96 -22.96 14.36 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.78 . . . . 71.02 111.0 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.474 ' O ' ' CD2' ' A' 2022 ' ' LEU . 0.0 OUTLIER -110.8 98.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 75.2 109.229 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -179.72 -158.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.613 1.196 . . . . 71.13 109.337 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.614 ' CG ' ' CE ' ' A' 2058 ' ' MET . 11.5 m0 -63.93 -52.32 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 75.21 107.964 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.7 m80 -45.76 -26.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 74.4 109.643 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -71.06 -35.01 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 62.44 110.19 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.557 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -71.29 -30.87 66.79 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.618 1.199 . . . . 72.5 111.008 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.834 ' HH2' HD11 ' A' 2078 ' ' LEU . 64.3 m95 -72.82 -51.12 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 73.52 108.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.9 t60 -53.12 -58.8 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 75.04 109.552 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 73.42 110.266 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -58.87 -63.65 5.01 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 52.05 111.003 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.139 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.2 tp -58.98 -33.16 70.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.807 . . . . 60.23 109.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -53.68 48.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 64.22 110.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -68.64 -50.94 47.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 75.4 110.348 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -51.55 -49.13 62.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 74.45 109.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 14.6 p -61.44 -38.16 86.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 74.21 109.982 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.1 OUTLIER -60.63 -35.15 75.48 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.557 1.16 . . . . 73.34 110.251 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.779 HD13 ' HA3' ' A' 2046 ' ' GLY . 1.4 mt -70.57 -47.51 59.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 70.02 109.285 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 47.9 t80 -58.86 -55.55 33.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 75.4 111.076 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.79 -45.49 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 75.43 111.036 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -52.54 -64.87 3.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.56 1.163 . . . . 53.44 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.51 -162.89 1.23 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.43 0.723 . . . . 74.4 110.371 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.454 ' HD3' ' C ' ' A' 2042 ' ' ARG . 0.0 OUTLIER -108.89 29.76 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 75.22 110.272 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.456 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 15.0 m-20 -102.48 83.53 2.31 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.563 1.165 . . . . 71.21 109.287 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.698 HG12 ' CD2' ' A' 2048 ' ' PHE . 40.7 t -63.55 -19.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 64.34 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.92 -35.73 34.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 61.25 109.352 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.811 ' O ' HG23 ' A' 2050 ' ' VAL . . . -59.01 -49.46 78.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.476 1.11 . . . . 10.1 110.967 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.613 ' O ' HD22 ' A' 2051 ' ' LEU . 10.3 tmm? -62.87 -41.75 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.13 111.019 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.698 ' CD2' HG12 ' A' 2044 ' ' VAL . 9.9 m-85 -72.95 -39.34 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 62.42 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -75.57 -14.2 60.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 74.4 110.449 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.925 ' O ' HD22 ' A' 2054 ' ' LEU . 5.4 t -85.05 -43.49 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 74.22 109.257 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.652 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.64 -46.95 23.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.32 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.3 mm-40 -34.53 -54.65 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 70.11 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.05 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 75.2 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.925 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.41 -55.88 9.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.415 1.072 . . . . 62.31 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 61.4 m170 -60.43 -53.09 61.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 73.03 109.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.37 -51.38 46.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 54.1 109.375 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.534 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.77 -39.06 51.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 65.35 110.957 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.614 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 1.3 mmt -67.4 -31.93 72.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 65.43 111.018 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.1 mm-40 -77.43 -64.74 1.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.446 1.091 . . . . 64.23 110.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' 2056 ' ' ALA . 10.0 ptm180 -70.08 -21.4 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.14 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.534 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.8 0.3 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.49 1.119 . . . . 73.31 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.361 1.716 . . . . 75.2 110.909 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' 2064 ' ' THR . 0.8 OUTLIER -143.49 -78.12 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 64.41 110.338 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.566 HG23 ' O ' ' A' 2063 ' ' GLN . 17.0 p -157.63 -176.4 5.92 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.501 1.125 . . . . 74.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -27.88 65.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 72.41 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.2 mptt -71.65 -42.96 66.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.059 . . . . 71.25 109.388 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.446 ' CB ' ' HB2' ' A' 2063 ' ' GLN . 0.2 OUTLIER -74.77 -19.8 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 74.23 110.312 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -61.42 -38.68 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 44.5 110.447 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 13.6 m -73.84 -29.93 62.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 64.23 110.073 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.448 ' O ' ' CD2' ' A' 2074 ' ' TYR . 5.4 t80 -68.72 -53.33 22.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 71.34 111.018 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.08 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 72.11 109.365 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -78.02 -43.41 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 61.42 110.32 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.06 14.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.21 109.287 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.566 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.1 m-85 -88.37 -23.46 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.2 110.927 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -36.31 -35.25 0.1 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.534 1.146 . . . . 60.34 110.932 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.26 -56.67 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 60.1 110.309 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.32 -55.8 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 71.41 109.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.834 HD11 ' HH2' ' A' 2027 ' ' TRP . 17.9 mt -52.46 -37.25 56.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 74.12 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -47.32 86.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 52.21 111.041 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.589 ' HG2' HD21 ' A' 2103 ' ' LEU . 2.8 tt0 -63.33 -59.92 4.07 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.63 1.207 . . . . 71.23 110.379 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.677 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -52.62 -41.61 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 62.31 109.259 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -43.36 82.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.494 1.121 . . . . 64.15 110.366 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -38.47 90.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 60.33 110.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.421 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.7 m95 -65.27 -33.64 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 71.15 108.012 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 6.6 t -65.49 -58.2 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 63.24 108.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -40.86 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 61.33 110.307 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.31 87.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 75.11 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.56 ' CE2' HD12 ' A' 2097 ' ' LEU . 3.1 t80 -74.4 -52.18 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.508 1.13 . . . . 74.12 111.039 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.571 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -54.04 -31.74 52.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 64.24 110.938 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -71.72 -58.37 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.04 109.315 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.59 66.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 64.04 110.137 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -113.6 -139.4 7.27 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.434 1.084 . . . . 72.01 110.965 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.45 164.25 38.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 73.33 109.35 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -34.39 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.5 109.327 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.34 -49.11 45.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 75.44 109.346 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.08 -35.3 76.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 63.24 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' 2088 ' ' TYR . 0.9 OUTLIER -64.18 -45.35 88.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 72.01 109.315 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 52.6 m -61.83 -45.14 95.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 62.25 110.372 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.448 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.2 OUTLIER -56.26 -46.09 79.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 73.12 110.316 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -63.01 -39.79 95.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 74.44 109.331 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' 2105 ' ' TYR . 1.1 m95 -65.12 -32.68 74.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 74.34 107.998 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -50.67 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 72.34 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.677 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 7.5 mp -54.41 -52.9 60.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 50.34 109.342 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' 2107 ' ' VAL . 13.4 m-85 -53.79 -56.01 21.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 74.41 110.956 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.71 -36.7 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 71.52 111.042 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . 0.45 ' O ' ' HG2' ' A' 2109 ' ' ARG . 0.9 OUTLIER -63.39 -45.36 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 71.43 109.616 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -76.17 -37.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 74.33 109.334 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.139 ' CG ' HD22 ' A' 2031 ' ' LEU . 7.3 m-85 -69.46 -33.61 73.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 70.14 111.072 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.494 HH21 ' CE ' ' A' 2113 ' ' LYS . 0.1 OUTLIER -81.72 -28.54 33.36 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.474 1.109 . . . . 65.32 110.274 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' 2106 ' ' HIS . 0.3 OUTLIER -69.38 -52.44 27.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 75.21 110.311 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' 2108 ' ' PHE . 3.3 pt -42.42 -33.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.3 109.262 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' 2113 ' ' LYS . 81.5 p -84.83 -56.91 3.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 74.42 110.007 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . 0.494 ' CE ' HH21 ' A' 2109 ' ' ARG . 0.0 OUTLIER -39.91 123.77 1.66 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.511 1.132 . . . . 73.5 109.203 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 73.42 110.252 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.415 0.15 . . . . 65.42 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.27 -15.04 63.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 61.1 110.32 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' 2017 ' ' ILE . 0.3 OUTLIER 67.42 72.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 71.41 109.307 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.636 ' H ' HD12 ' A' 2017 ' ' ILE . 4.4 mp -39.71 133.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 75.33 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -110.26 97.49 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 74.23 110.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.622 HG11 HD12 ' A' 2022 ' ' LEU . 0.2 OUTLIER -40.69 132.19 1.77 Allowed Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.487 1.117 . . . . 62.13 109.265 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.521 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.7 Cg_endo -74.91 -23.31 14.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.386 1.73 . . . . 74.32 111.065 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -117.63 90.7 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 64.34 109.277 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' 2023 ' ' TRP . 0.6 OUTLIER 179.12 149.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.153 . . . . 63.43 109.351 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.733 ' H ' HD23 ' A' 2022 ' ' LEU . 5.0 m0 -48.78 -49.68 37.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.53 108.132 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m170 -47.18 -22.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.14 109.576 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' 2022 ' ' LEU . 1.1 tt0 -72.99 -36.02 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 62.11 110.236 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.561 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -72.76 -32.67 65.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.384 1.052 . . . . 73.22 110.918 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.821 ' HH2' HD11 ' A' 2078 ' ' LEU . 69.3 m95 -71.82 -51.62 21.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 63.01 108.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.5 OUTLIER -53.49 -59.6 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 74.04 109.595 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.442 ' N ' ' CD2' ' A' 2028 ' ' HIS . 9.0 pt-20 -67.46 -33.94 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.01 110.244 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' 2026 ' ' MET . . . -59.69 -64.17 4.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 45.44 110.947 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.132 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.4 tp -60.28 -30.53 69.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 64.14 109.31 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 4.7 mm-40 -54.72 -53.27 57.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.35 110.352 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.436 ' HG2' HG21 ' A' 2050 ' ' VAL . 1.8 tt0 -68.88 -50.13 52.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 72.31 110.33 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -55.92 -48.52 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.48 1.113 . . . . 62.54 109.415 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' 2031 ' ' LEU . 83.6 p -56.82 -43.88 81.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 71.13 110.052 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.2 OUTLIER -61.75 -34.16 75.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 63.21 110.281 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' 2034 ' ' ALA . 3.1 mt -69.78 -33.48 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 74.24 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 68.7 t80 -83.65 -54.5 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 73.04 110.954 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -72.94 -47.62 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 75.5 110.896 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -64.24 -59.03 8.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 72.02 111.022 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -117.15 -178.94 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 72.31 110.338 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.18 32.17 5.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.571 1.169 . . . . 73.12 110.338 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -110.04 77.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 70.14 109.382 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.757 HG12 ' CE2' ' A' 2048 ' ' PHE . 35.6 t -53.24 -20.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 73.23 109.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.89 -37.12 41.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 70.4 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.26 -55.2 27.68 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.539 1.149 . . . . 64.42 111.011 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.575 ' CE ' HG13 ' A' 2044 ' ' VAL . 9.0 tmm? -57.7 -55.07 39.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 62.44 111.068 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.757 ' CE2' HG12 ' A' 2044 ' ' VAL . 10.3 m-85 -50.06 -43.68 51.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 73.5 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.8 OUTLIER -76.01 -15.4 60.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 63.02 110.344 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.989 ' O ' HD22 ' A' 2054 ' ' LEU . 12.1 t -85.87 -44.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.142 . . . . 72.32 109.357 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.85 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.27 -41.8 39.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 60.31 109.204 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.7 OUTLIER -38.79 -54.69 3.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 74.45 110.223 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.01 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 63.41 110.939 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.01 -54.92 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 63.14 109.331 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' 2059 ' ' GLU . 61.8 m170 -60.37 -52.95 63.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 64.41 109.66 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.02 -51.8 54.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 61.55 109.3 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.58 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.58 -35.84 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 62.2 110.973 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.561 ' HE3' ' CE ' ' A' 2026 ' ' MET . 1.4 mmt -70.58 -31.89 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.608 1.193 . . . . 65.41 110.984 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.9 mm-40 -77.63 -64.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 74.03 110.316 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.5 -24.52 61.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 70.14 110.347 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.58 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.99 81.67 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 43.21 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 65.1 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.645 ' O ' HG23 ' A' 2064 ' ' THR . 9.0 tt0 -133.75 -62.67 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 74.42 110.163 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.645 HG23 ' O ' ' A' 2063 ' ' GLN . 5.0 p -158.83 -169.44 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 73.42 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.5 OUTLIER -69.83 -27.3 64.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 71.25 109.252 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -75.03 -32.45 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 74.45 109.249 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.577 ' HG3' ' CH2' ' A' 2023 ' ' TRP . 0.0 OUTLIER -46.19 -25.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 75.35 110.34 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' 2072 ' ' GLN . 35.8 p -55.13 -48.44 73.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 61.4 110.409 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' 2073 ' ' ALA . 8.0 t -53.55 -42.59 67.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 54.45 109.916 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' 2111 ' ' ILE . 22.4 t80 -72.86 -53.96 10.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.385 1.053 . . . . 75.44 110.905 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.526 ' O ' ' CA ' ' A' 2075 ' ' GLY . 16.8 t-20 -59.35 -31.89 69.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 72.31 109.317 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' 2068 ' ' THR . 2.7 mt-30 -80.91 -51.59 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.637 1.211 . . . . 71.41 110.382 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -42.47 -43.75 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 62.4 109.227 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.7 m-85 -102.88 -15.68 16.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 64.51 110.93 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.83 -53.08 2.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 53.54 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.14 -39.27 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 75.14 110.196 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.43 -61.28 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.34 109.304 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.821 HD11 ' HH2' ' A' 2027 ' ' TRP . 16.7 mt -52.1 -38.1 56.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 41.42 109.266 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 12.6 mmm -58.07 -47.94 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 71.41 111.04 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -62.91 -59.35 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 74.52 110.227 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.13 -41.61 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 54.5 109.317 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -55.31 -44.15 75.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.35 110.273 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.43 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.12 -36.59 84.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 73.45 110.276 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.2 m95 -71.14 -32.58 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.016 -1.105 . . . . 73.44 108.016 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.48 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 11.1 t -61.07 -49.56 76.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.113 . . . . 73.42 108.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -43.38 98.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 74.43 110.328 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.43 ' CE ' ' HG3' ' A' 2083 ' ' GLU . 10.1 mttt -49.7 -48.86 49.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 73.24 109.275 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 7.5 t80 -69.94 -52.52 23.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 72.54 111.075 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.478 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -46.18 -25.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 71.24 111.008 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -41.66 88.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 74.32 109.249 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.77 -47.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 40.45 110.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 130.77 88.77 0.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 73.21 110.89 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . 0.477 ' N ' ' CD2' ' A' 2088 ' ' TYR . 2.3 m-20 -110.83 96.43 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 73.2 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 t -46.09 -44.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.101 . . . . 73.41 109.325 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -46.89 69.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 65.15 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -69.04 -49.88 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 72.53 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.741 HD21 HG21 ' A' 2044 ' ' VAL . 21.7 tp -53.9 -44.78 70.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 73.24 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 5.9 m -59.69 -48.4 81.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 70.33 110.462 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -40.42 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 75.02 110.289 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -67.57 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 63.42 109.397 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.5 m95 -72.53 -29.75 63.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 75.53 107.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.8 -50.89 30.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 73.41 109.294 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.688 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 3.7 mt -55.8 -51.13 68.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 72.02 109.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' 2100 ' ' ALA . 12.9 m-85 -53.17 -56.03 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 71.22 110.953 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.19 -38.68 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 73.13 111.064 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -50.48 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 73.23 109.594 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -70.82 -49.27 51.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 64.44 109.365 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.132 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -59.64 -31.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 71.44 110.952 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.9 OUTLIER -78.29 -35.58 47.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.43 110.271 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -50.8 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 75.25 110.361 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.618 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -47.83 -35.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.508 1.13 . . . . 75.43 109.368 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 1.8 p -80.71 -43.73 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 53.31 109.956 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . 0.441 ' HZ1' HH21 ' A' 2109 ' ' ARG . 0.0 OUTLIER -47.44 131.56 13.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 70.44 109.276 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 73.14 110.24 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.456 0.169 . . . . 72.11 110.99 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -117.28 -14.1 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 74.1 110.306 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 78.38 170.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 74.35 109.266 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.817 HG22 ' N ' ' A' 2018 ' ' ARG . 1.5 mp 65.07 -93.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 75.14 109.35 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.817 ' N ' HG22 ' A' 2017 ' ' ILE . 0.0 OUTLIER -58.52 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 75.24 110.299 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.759 HG11 HD13 ' A' 2022 ' ' LEU . 70.7 t -85.17 143.03 38.87 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 73.44 109.334 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.706 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.2 Cg_endo -75.05 -64.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.538 1.81 . . . . 74.44 111.073 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.555 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -78.95 57.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.53 109.305 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.759 HD13 HG11 ' A' 2019 ' ' VAL . 1.5 tp -138.53 148.68 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 65.31 109.284 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.566 ' CE3' ' SD ' ' A' 2058 ' ' MET . 7.5 m0 -78.13 -48.22 16.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.005 -1.109 . . . . 73.3 108.005 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' 2028 ' ' HIS . 2.9 m80 -47.47 -22.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 74.22 109.602 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -70.43 -37.02 74.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 75.24 110.345 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.505 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.2 OUTLIER -75.11 -31.62 61.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 75.01 110.979 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.771 ' HH2' HD11 ' A' 2078 ' ' LEU . 69.2 m95 -71.56 -51.06 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 75.11 108.078 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' 2024 ' ' HIS . 13.7 m170 -56.07 -51.57 67.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 71.53 109.567 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.3 mm-40 -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 65.24 110.292 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' 2026 ' ' MET . . . -60.31 -65.23 3.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 61.34 110.958 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.12 HD22 ' CG ' ' A' 2108 ' ' PHE . 0.9 OUTLIER -61.27 -31.79 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 0.714 . . . . 72.31 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 7.8 mt-10 -54.23 -49.89 68.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 74.24 110.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.73 -51.05 11.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 74.11 110.294 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.532 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -52.29 -43.42 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 72.45 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' 2031 ' ' LEU . 27.2 p -73.54 -49.77 24.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 55.21 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -48.0 49.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 74.24 110.362 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' 2038 ' ' TYR . 4.0 pp -70.47 -46.52 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 71.12 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.843 ' N ' HD12 ' A' 2037 ' ' LEU . 68.3 t80 -53.95 -53.37 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.358 1.036 . . . . 74.54 110.945 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -73.43 -45.59 53.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 74.45 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -60.04 -34.99 85.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.098 . . . . 43.21 110.97 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' 2037 ' ' LEU . 6.7 tp10 -149.33 142.47 24.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 73.14 110.351 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.7 57.44 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 75.1 110.286 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.3 m120 -128.3 72.65 1.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 71.05 109.299 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.943 HG21 HD21 ' A' 2097 ' ' LEU . 53.3 t -57.04 -20.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 55.15 109.367 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -49.91 -42.12 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 63.32 109.286 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.499 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -54.12 -54.11 33.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 60.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.552 ' HE3' ' CG1' ' A' 2044 ' ' VAL . 12.2 tmm? -52.59 -55.12 24.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.801 . . . . 62.1 110.971 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.673 ' CD2' ' HE3' ' A' 2089 ' ' MET . 8.4 m-85 -51.48 -39.33 57.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 73.43 111.019 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.1 mt-10 -76.86 -16.17 59.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 63.43 110.356 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.986 ' O ' HD22 ' A' 2054 ' ' LEU . 4.4 t -87.01 -43.54 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 71.44 109.258 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.73 -39.53 44.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 75.14 109.324 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' 2048 ' ' PHE . 1.1 mm-40 -40.83 -54.57 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.32 110.378 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.593 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.9 Cg_endo -75.03 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.434 1.755 . . . . 71.41 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.76 -53.93 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 54.35 109.282 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 51.7 m170 -60.87 -52.74 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 52.25 109.617 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.51 -51.31 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.637 1.211 . . . . 75.34 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.21 -37.42 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.4 111.032 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.566 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.1 mmt -69.13 -32.01 71.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 71.43 111.007 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.22 -63.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.15 110.352 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' 2056 ' ' ALA . 8.5 ptm180 -71.59 -20.71 61.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 64.34 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.19 80.49 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 75.3 110.971 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 74.22 110.996 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.498 ' HG2' HG22 ' A' 2064 ' ' THR . 10.6 tt0 -143.36 -75.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 75.24 110.374 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.498 HG22 ' HG2' ' A' 2063 ' ' GLN . 1.2 t -163.89 165.5 22.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 72.21 110.425 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' 2065 ' ' LEU . 3.1 mt -54.46 -27.85 40.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 74.01 109.361 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 5.6 tttm -71.24 -35.79 71.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 51.34 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 0.0 OUTLIER -85.79 -19.02 31.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 74.42 110.334 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.1 m -54.26 -26.45 29.04 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.471 1.107 . . . . 75.52 110.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -38.36 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 72.11 109.979 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.623 ' CE2' HG22 ' A' 2111 ' ' ILE . 4.5 t80 -63.85 -47.56 80.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.382 1.051 . . . . 74.3 110.963 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.509 ' O ' ' CA ' ' A' 2075 ' ' GLY . 6.7 t30 -69.52 -28.47 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 62.03 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -54.1 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 65.31 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.44 -52.14 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 70.32 109.247 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.3 m-85 -91.55 -15.31 28.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 63.51 111.081 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.1 -43.88 1.94 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 63.11 111.012 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -50.52 12.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 0.803 . . . . 63.14 110.362 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.79 -54.94 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.11 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.771 HD11 ' HH2' ' A' 2027 ' ' TRP . 52.6 mt -52.48 -38.16 58.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 74.3 109.346 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.469 1.105 . . . . 75.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.54 ' OE1' HD21 ' A' 2103 ' ' LEU . 31.5 tt0 -62.64 -54.33 41.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.634 1.209 . . . . 73.24 110.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.56 -39.34 64.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.436 1.085 . . . . 63.12 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -39.71 95.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 72.44 110.266 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -39.0 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 71.15 110.278 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.435 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.8 m95 -68.61 -34.54 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 72.32 108.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -58.25 -56.41 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 63.12 108.329 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -37.66 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 63.24 110.35 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.451 ' CB ' ' OD2' ' A' 2096 ' ' ASP . 1.8 mtpp -56.56 -48.89 76.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 72.33 109.272 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -70.67 -45.67 64.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 63.52 111.008 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.673 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -56.44 -30.57 63.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 75.11 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.91 -57.3 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 72.04 109.32 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 23.1 t -69.83 -63.02 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 65.25 110.003 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.9 84.17 1.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 74.32 110.969 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.68 125.26 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 62.04 109.349 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 p -61.68 -38.81 81.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 62.23 109.212 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.2 tttt -49.5 -51.72 34.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.517 1.136 . . . . 71.11 109.23 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . 0.466 ' OD1' ' C ' ' A' 2096 ' ' ASP . 0.6 OUTLIER -64.98 -42.8 94.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 70.15 109.325 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.943 HD21 HG21 ' A' 2044 ' ' VAL . 2.5 tp -58.18 -46.79 85.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 72.01 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 21.0 m -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 63.32 110.455 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -48.09 75.59 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.509 1.13 . . . . 63.34 110.265 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.36 -47.04 87.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 72.21 109.34 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.452 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.1 m95 -58.19 -31.0 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.955 -1.128 . . . . 64.35 107.955 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.04 -49.69 66.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 65.44 109.298 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' 2107 ' ' VAL . 6.3 mp -54.41 -52.91 60.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.54 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' 2107 ' ' VAL . 11.1 m-85 -53.87 -55.87 22.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 65.33 111.084 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.81 -36.94 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 64.3 110.963 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -50.71 70.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 72.15 109.537 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.9 OUTLIER -70.48 -49.37 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 63.33 109.303 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.12 ' CG ' HD22 ' A' 2031 ' ' LEU . 15.0 m-85 -59.77 -29.86 68.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 75.02 111.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.8 OUTLIER -76.84 -39.78 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.172 . . . . 72.13 110.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -51.33 69.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 73.23 110.296 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.623 HG22 ' CE2' ' A' 2070 ' ' PHE . 19.0 pt -46.22 -39.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.36 1.037 . . . . 72.45 109.315 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 16.0 p -81.93 -53.82 5.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 71.34 110.009 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.19 113.42 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 74.14 109.344 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 23.3 pt20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 55.35 110.229 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.445 0.164 . . . . 74.21 110.969 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -112.52 -12.69 13.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 71.3 110.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 1.7 mp 53.97 48.93 20.07 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.491 1.119 . . . . 64.23 109.342 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 15.0 mt -121.53 139.57 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 73.13 109.27 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.51 ' CD ' ' C ' ' A' 2114 ' ' GLN . 0.0 OUTLIER -125.63 71.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 72.25 110.323 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.707 HG23 ' HD2' ' A' 2020 ' ' PRO . 2.5 p -40.43 142.9 0.71 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.06 . . . . 71.34 109.243 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' 2019 ' ' VAL . 18.5 Cg_endo -74.83 -82.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.406 1.74 . . . . 54.21 111.062 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.638 ' O ' HD12 ' A' 2021 ' ' ILE . 1.8 pp -59.68 81.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 72.32 109.325 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' 2020 ' ' PRO . 0.2 OUTLIER -166.79 -159.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 62.25 109.251 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.584 ' CE3' ' SD ' ' A' 2058 ' ' MET . 11.5 m0 -56.46 -48.21 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 73.35 108.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.2 m170 -46.9 -25.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 73.34 109.606 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' 2022 ' ' LEU . 36.9 tt0 -70.69 -33.68 71.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 55.2 110.265 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.967 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -75.32 -30.54 60.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 75.15 110.908 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.824 ' HH2' HD11 ' A' 2078 ' ' LEU . 62.9 m95 -71.56 -50.88 26.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.175 . . . . 71.23 108.068 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.8 t60 -57.35 -57.93 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 52.32 109.568 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.71 -35.2 79.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 70.23 110.204 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.29 -63.31 4.99 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 55.13 111.017 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.123 HD22 ' CG ' ' A' 2108 ' ' PHE . 6.5 tp -56.92 -36.99 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 44.45 109.364 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.06 -53.97 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 75.45 110.3 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.766 ' OE2' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER -61.55 -50.4 72.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 74.12 110.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -55.1 -40.87 70.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 71.11 109.267 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' 2031 ' ' LEU . 0.6 OUTLIER -72.41 -51.96 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 63.04 109.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -50.79 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 72.31 110.262 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.766 HD23 ' OE2' ' A' 2033 ' ' GLU . 3.1 pp -68.7 -45.08 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 72.02 109.368 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' 2044 ' ' VAL . 19.9 t80 -54.22 -48.57 70.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 72.4 111.038 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -77.83 -44.37 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 73.11 111.089 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -79.04 -72.14 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.601 1.188 . . . . 74.44 110.946 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' 2037 ' ' LEU . 7.1 tp10 -53.21 -19.57 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 0.725 . . . . 73.25 110.253 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' 2038 ' ' TYR . 8.2 mmt180 60.0 26.07 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.14 110.264 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.42 ' HB3' ' HG2' ' A' 2045 ' ' LYS . 0.6 OUTLIER -124.34 120.96 33.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 73.21 109.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.654 HG21 HD11 ' A' 2097 ' ' LEU . 34.5 m -77.33 -29.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 70.14 109.35 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.15 -40.86 25.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 64.33 109.289 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.96 -50.65 64.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 63.04 110.967 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.499 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 4.7 tmm? -53.49 -44.68 69.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 0.699 . . . . 74.04 111.045 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.47 ' CD1' ' SD ' ' A' 2047 ' ' MET . 11.2 m-85 -65.8 -36.18 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 62.55 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.6 mm-40 -75.89 -14.42 60.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 72.2 110.289 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.578 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.3 t -84.62 -43.18 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 65.34 109.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.695 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.75 -46.19 26.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.373 1.046 . . . . 74.13 109.254 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.35 -55.09 1.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 75.24 110.301 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.578 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.0 Cg_endo -75.06 -50.96 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 74.53 110.939 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.967 HD22 ' SD ' ' A' 2026 ' ' MET . 27.9 mt -49.34 -56.49 9.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 72.23 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 58.7 m170 -59.91 -53.06 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 75.15 109.663 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.86 -50.52 45.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.24 109.408 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.52 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.17 -38.23 50.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 74.13 111.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.584 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -67.81 -32.5 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.381 1.051 . . . . 53.04 111.042 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.2 mm-40 -77.12 -64.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 74.05 110.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 2056 ' ' ALA . 3.7 ptt180 -69.49 -21.9 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 71.21 110.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.35 84.7 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 70.24 111.009 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.542 1.811 . . . . 61.55 111.067 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.506 ' O ' ' CG2' ' A' 2064 ' ' THR . 0.9 OUTLIER -152.04 -73.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 71.55 110.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' 2063 ' ' GLN . 26.6 p -157.51 177.71 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 72.31 110.418 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.93 -27.87 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 64.42 109.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -36.76 78.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 71.13 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.542 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 3.2 mm-40 -81.4 -23.57 37.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 72.41 110.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.4 m -55.73 -34.7 65.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.21 110.393 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.6 t -74.04 -36.74 64.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.4 110.006 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.631 ' CE2' HG22 ' A' 2111 ' ' ILE . 9.8 t80 -63.96 -48.24 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.22 111.089 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' 2075 ' ' GLY . 29.0 t30 -66.85 -28.92 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 73.32 109.31 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -79.12 -52.29 8.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.32 110.291 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.92 -35.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.378 1.049 . . . . 62.32 109.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.589 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 22.8 m-85 -107.72 -20.58 13.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 75.14 111.005 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -37.23 -39.18 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.283 0.99 . . . . 64.22 110.919 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -78.38 -48.25 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 71.03 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.02 -56.98 14.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 71.34 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.824 HD11 ' HH2' ' A' 2027 ' ' TRP . 11.6 mt -52.53 -39.15 61.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 74.34 109.339 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.5 mmm -57.73 -48.29 80.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 50.32 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.97 -55.92 28.08 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.612 1.195 . . . . 70.1 110.38 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -55.79 -43.14 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.576 1.172 . . . . 71.23 109.269 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -53.73 -40.22 65.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 75.41 110.376 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.496 ' HA ' ' NE ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -68.15 -37.13 80.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 64.22 110.235 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.52 -23.53 58.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.187 . . . . 71.34 107.969 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 9.9 t -67.67 -58.94 3.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 71.45 108.39 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' 2083 ' ' GLU . 4.8 ptt180 -63.24 -27.56 69.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 72.12 110.288 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.465 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.4 OUTLIER -61.09 -54.91 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.33 109.326 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.433 ' CZ ' HD12 ' A' 2097 ' ' LEU . 9.1 t80 -67.63 -34.78 77.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 72.24 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -50.06 61.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 63.31 111.053 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -58.13 8.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 65.44 109.355 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.53 66.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 72.42 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -111.8 -130.75 5.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 62.41 110.977 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -161.47 167.75 24.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 0.774 . . . . 72.31 109.227 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.3 -33.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 72.45 109.259 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 14.2 tttt -50.52 -49.45 55.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 71.31 109.239 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.62 74.47 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.616 1.197 . . . . 63.41 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.654 HD11 HG21 ' A' 2044 ' ' VAL . 0.7 OUTLIER -66.38 -49.09 68.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 74.14 109.366 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -59.27 -42.41 91.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.634 1.209 . . . . 61.53 110.383 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -43.86 95.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 71.4 110.363 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.612 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -63.64 -40.4 96.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.25 109.297 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.419 ' NE1' ' HG3' ' A' 2047 ' ' MET . 0.8 OUTLIER -70.25 -29.79 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 73.34 108.01 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.96 -51.02 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 72.33 109.408 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.662 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 4.3 mt -55.27 -53.17 59.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.591 1.182 . . . . 70.13 109.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' 2100 ' ' ALA . 20.0 m-85 -54.57 -56.27 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 74.14 110.948 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 1.1 t80 -47.71 -34.88 8.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 54.2 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -53.94 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 72.22 109.541 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' 2103 ' ' LEU . 0.9 OUTLIER -63.51 -49.98 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 64.22 109.344 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.123 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -57.39 -29.33 63.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 74.23 110.975 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 1.1 mtt180 -76.05 -38.51 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 73.21 110.191 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -51.19 69.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 71.25 110.339 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.631 HG22 ' CE2' ' A' 2070 ' ' PHE . 16.1 pt -48.14 -27.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 74.12 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.56 -50.88 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.13 109.898 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.03 125.59 1.98 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 72.02 109.342 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . 0.51 ' C ' ' CD ' ' A' 2018 ' ' ARG . 1.4 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 71.43 110.355 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.447 0.165 . . . . 61.11 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -102.09 -12.81 17.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 73.4 110.32 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 72.55 29.55 2.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 75.11 109.307 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' 2018 ' ' ARG . 5.0 mt -148.17 -89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 71.24 109.357 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.441 ' N ' HG22 ' A' 2017 ' ' ILE . 0.0 OUTLIER -158.81 85.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.168 . . . . 62.15 110.322 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 1.07 HG13 HD13 ' A' 2022 ' ' LEU . 0.2 OUTLIER -39.54 128.87 1.42 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.51 109.316 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -30.0 7.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.559 1.821 . . . . 63.2 110.972 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.443 ' O ' HD12 ' A' 2021 ' ' ILE . 1.7 pp -109.81 98.39 6.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 O-C-N 124.562 1.164 . . . . 63.11 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 1.07 HD13 HG13 ' A' 2019 ' ' VAL . 0.3 OUTLIER -155.25 -158.87 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 60.24 109.307 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.602 ' CZ2' ' OE1' ' A' 2063 ' ' GLN . 10.6 m0 -63.88 -51.04 66.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.886 -1.153 . . . . 62.5 107.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' 2024 ' ' HIS . 2.0 m170 -45.84 -24.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 75.55 109.537 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' 2029 ' ' GLU . 2.9 tt0 -73.62 -40.25 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 64.33 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.523 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.1 OUTLIER -67.08 -31.45 71.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 74.53 111.051 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.762 ' HH2' HD11 ' A' 2078 ' ' LEU . 66.2 m95 -73.01 -50.8 21.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 75.31 108.017 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -50.69 72.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 72.3 109.551 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' 2025 ' ' GLU . 3.1 mm-40 -67.38 -45.64 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 75.43 110.328 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -52.29 -64.64 3.85 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.605 1.191 . . . . 62.45 110.996 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.156 HD22 ' CG ' ' A' 2108 ' ' PHE . 1.9 tp -58.97 -34.04 71.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.787 . . . . 72.45 109.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -53.61 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 74.21 110.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' 2037 ' ' LEU . 4.1 tt0 -69.44 -51.09 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 73.11 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.502 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -50.99 -46.96 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 72.54 109.323 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 2031 ' ' LEU . 4.3 t -65.66 -53.73 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 54.14 110.013 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -48.49 57.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.5 1.125 . . . . 72.2 110.239 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.949 HD12 ' N ' ' A' 2038 ' ' TYR . 2.9 pp -70.73 -44.34 67.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 75.15 109.257 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.949 ' N ' HD12 ' A' 2037 ' ' LEU . 27.6 t80 -51.73 -56.45 13.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.24 111.014 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -69.89 -30.4 67.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 75.03 111.04 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -47.1 -68.74 1.05 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.508 1.13 . . . . 62.33 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' 2042 ' ' ARG . 3.5 pm0 -139.48 51.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 0.822 . . . . 65.34 110.27 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' 2041 ' ' GLU . 79.0 mmt-85 35.13 40.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 74.43 110.298 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.425 ' O ' HD13 ' A' 2037 ' ' LEU . 32.6 m-20 -94.24 64.64 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 73.22 109.268 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.922 HG21 HD21 ' A' 2097 ' ' LEU . 55.5 t -51.71 -22.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 72.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -45.91 62.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 73.34 109.274 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.584 ' HA3' HD22 ' A' 2037 ' ' LEU . . . -53.46 -54.01 32.26 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.477 1.11 . . . . 72.5 110.976 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.613 ' CE ' HG13 ' A' 2044 ' ' VAL . 12.7 tmm? -51.49 -54.73 24.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 0.782 . . . . 70.33 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.711 ' CE2' HG12 ' A' 2044 ' ' VAL . 20.6 m-85 -49.84 -42.81 48.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 75.12 111.052 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.541 ' O ' ' CD ' ' A' 2053 ' ' PRO . 2.4 mm-40 -76.87 -15.29 59.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 64.01 110.254 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.78 ' O ' HD22 ' A' 2054 ' ' LEU . 6.2 t -85.31 -45.16 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 72.21 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.29 -43.1 34.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.59 1.181 . . . . 70.54 109.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.3 OUTLIER -37.19 -54.63 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 74.24 110.31 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.585 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.95 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 75.14 110.929 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.03 -55.56 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 64.23 109.354 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 32.4 m170 -61.2 -52.44 64.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 70.12 109.598 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.22 -52.32 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 74.05 109.349 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.518 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -49.98 -38.84 38.82 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.529 1.143 . . . . 62.22 110.997 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.4 mmt -68.51 -31.63 71.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 74.51 110.993 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.1 mt-10 -78.11 -63.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 50.13 110.369 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -71.78 -15.95 62.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 71.43 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.82 75.05 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.437 1.086 . . . . 62.41 111.073 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.0 Cg_endo -75.13 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.463 1.77 . . . . 74.31 110.931 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.626 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -139.4 -81.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 71.52 110.315 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.626 HG23 ' O ' ' A' 2063 ' ' GLN . 1.9 p -157.73 -172.7 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 63.05 110.333 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -28.82 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 54.54 109.268 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -36.68 76.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.31 109.249 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.27 -21.21 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 74.32 110.253 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 3.8 m -54.33 -27.01 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 44.14 110.364 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.0 t -68.8 -38.44 79.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 64.11 109.961 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' 2111 ' ' ILE . 10.9 t80 -66.97 -52.93 36.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.391 1.057 . . . . 73.2 111.042 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' 2075 ' ' GLY . 1.7 t-20 -59.02 -30.52 68.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 62.32 109.337 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -79.22 -40.02 31.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 64.04 110.348 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -53.01 -35.18 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 74.44 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.81 ' HD1' HG22 ' A' 2107 ' ' VAL . 55.4 m-85 -108.58 -17.21 14.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 74.2 110.877 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.76 -46.81 0.89 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.5 1.125 . . . . 43.24 111.049 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -39.3 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 0.822 . . . . 64.3 110.284 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' 2074 ' ' TYR . 16.6 m-20 -58.32 -60.12 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 71.41 109.264 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.762 HD11 ' HH2' ' A' 2027 ' ' TRP . 23.1 mt -52.58 -39.76 61.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.2 . . . . 73.35 109.366 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.85 -45.77 78.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 71.04 111.058 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.506 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.8 tt0 -66.31 -61.39 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 74.12 110.396 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -52.95 -42.05 65.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.606 1.191 . . . . 54.13 109.36 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.5 tt0 -57.57 -41.66 81.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 65.04 110.274 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -63.1 -38.36 90.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 71.44 110.276 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.601 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 94.4 m95 -72.71 -23.48 60.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 74.41 108.035 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 1.3 m -73.29 -58.7 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 73.25 108.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 6.2 ptt180 -66.86 -27.89 67.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 71.34 110.224 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -68.9 -44.54 72.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 71.12 109.306 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.4 OUTLIER -71.53 -37.65 71.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.591 1.182 . . . . 65.51 111.077 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.601 ' HE2' ' CE2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -65.0 -38.03 89.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 72.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -41.33 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 73.32 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' 2087 ' ' LYS . 8.5 t -81.52 -71.61 0.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.39 1.057 . . . . 64.2 109.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 106.68 90.73 2.18 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.473 1.108 . . . . 72.23 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.82 106.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 71.41 109.319 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.5 t -46.56 -40.9 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 72.21 109.288 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -49.57 -48.2 48.78 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.465 1.103 . . . . 73.43 109.307 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -65.51 -39.25 91.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 62.44 109.321 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.922 HD21 HG21 ' A' 2044 ' ' VAL . 4.1 tp -63.82 -46.03 86.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.396 1.06 . . . . 72.43 109.236 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -57.69 -43.13 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 64.43 110.373 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.4 ' O ' HD12 ' A' 2103 ' ' LEU . 0.0 OUTLIER -62.12 -41.25 98.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 74.44 110.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -65.09 -40.9 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 74.04 109.342 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.416 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 1.0 OUTLIER -64.64 -32.13 73.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 74.41 108.089 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -51.17 61.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 61.13 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.2 mp -54.7 -49.53 70.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 71.54 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -56.54 -51.68 67.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 70.22 111.089 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.515 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -47.44 -46.22 26.45 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.529 1.143 . . . . 63.41 110.995 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.21 -40.99 99.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 62.04 109.593 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.81 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.8 t -66.45 -57.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 62.2 109.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.156 ' CG ' HD22 ' A' 2031 ' ' LEU . 32.4 m-85 -62.57 -29.12 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 73.22 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.6 ttm180 -74.9 -30.05 61.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 74.43 110.196 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -51.13 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.12 110.353 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.704 HG23 ' OH ' ' A' 2074 ' ' TYR . 14.4 pt -47.55 -29.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 71.11 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 45.1 t -86.1 -51.23 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 73.44 109.968 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.18 142.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 74.52 109.334 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 74.43 110.316 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.475 0.178 . . . . 73.12 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -114.71 -30.23 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 64.52 110.271 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' 2017 ' ' ILE . 0.0 OUTLIER -172.96 -152.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 72.53 109.227 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' 2016 ' ' LEU . 1.3 mt -39.76 -60.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.39 1.056 . . . . 72.11 109.301 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.498 ' CD ' HG22 ' A' 2017 ' ' ILE . 0.0 OUTLIER -167.69 176.01 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.44 110.289 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.427 ' N ' ' HG2' ' A' 2018 ' ' ARG . 3.7 t -90.45 135.72 29.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 64.43 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 -23.0 14.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.582 1.833 . . . . 44.45 111.04 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' 2021 ' ' ILE . 22.6 mt -103.8 46.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 71.31 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.882 HD23 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -130.09 177.8 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.409 1.068 . . . . 74.04 109.24 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.882 ' H ' HD23 ' A' 2022 ' ' LEU . 10.7 m0 -47.89 -43.75 28.94 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.098 . . . . 74.54 108.034 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.6 m80 -47.53 -23.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 61.34 109.517 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.0 tt0 -71.01 -35.8 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 70.3 110.234 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.499 ' HG3' ' N ' ' A' 2027 ' ' TRP . 0.1 OUTLIER -74.48 -31.53 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 64.42 110.994 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.771 ' HH2' HD11 ' A' 2078 ' ' LEU . 72.7 m95 -74.01 -37.61 64.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 73.2 108.026 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' 2032 ' ' GLU . 1.7 t60 -68.88 -56.74 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.13 109.577 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 2.2 pp20? -69.47 -36.37 76.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 62.15 110.408 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' 2026 ' ' MET . . . -58.52 -65.06 3.77 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.431 1.082 . . . . 65.24 110.989 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.16 HD22 ' CG ' ' A' 2108 ' ' PHE . 2.7 tp -61.36 -30.53 70.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 73.32 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' 2028 ' ' HIS . 6.9 mm-40 -53.32 -52.14 60.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.32 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.08 -51.15 16.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 74.21 110.412 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -51.42 -42.66 61.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 62.13 109.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 79.3 p -72.34 -48.91 38.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 43.51 110.062 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -50.31 -51.88 41.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 73.34 110.318 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.496 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 3.9 pp -68.29 -46.88 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.068 . . . . 70.4 109.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.731 ' HD1' HG12 ' A' 2044 ' ' VAL . 27.7 t80 -54.22 -52.25 61.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 73.32 110.991 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -74.37 -46.31 41.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 74.51 110.907 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -59.97 -54.88 33.8 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.528 1.143 . . . . 42.05 110.968 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -117.91 155.4 30.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 73.15 110.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.45 ' C ' ' CD ' ' A' 2042 ' ' ARG . 0.0 OUTLIER -84.94 46.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.384 1.052 . . . . 73.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -127.64 87.1 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.34 109.263 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.839 HG11 ' CD1' ' A' 2097 ' ' LEU . 32.1 m -65.37 -12.42 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 31.43 109.276 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -50.66 -39.09 49.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.508 1.13 . . . . 74.3 109.251 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.849 ' O ' HG23 ' A' 2050 ' ' VAL . . . -55.5 -44.32 85.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 51.24 111.056 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.495 ' O ' ' HG ' ' A' 2051 ' ' LEU . 30.7 ttp -65.54 -55.54 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 64.04 110.923 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.588 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 31.2 m-85 -50.41 -44.99 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 61.23 110.999 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.5 pp20? -75.51 -16.52 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 71.43 110.337 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' 2046 ' ' GLY . 3.9 t -85.1 -45.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.557 1.16 . . . . 72.31 109.35 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.859 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -76.93 -42.58 38.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 75.04 109.294 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.6 OUTLIER -36.94 -55.04 1.68 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 44.25 110.339 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.584 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -75.03 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 63.33 111.055 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' 2054 ' ' LEU . 0.1 OUTLIER -48.85 -56.15 9.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 75.11 109.262 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' 2051 ' ' LEU . 56.6 m170 -60.05 -52.35 65.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 73.11 109.658 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.55 54.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 73.41 109.317 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.553 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.23 -36.88 32.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 65.13 111.005 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.607 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.9 OUTLIER -69.93 -31.67 69.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 74.03 111.053 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.53 -64.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 72.42 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' 2056 ' ' ALA . 20.8 ptp180 -71.2 -20.99 62.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.53 110.399 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.553 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.28 80.34 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 73.4 111.063 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 72.25 110.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.709 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -145.93 -76.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.52 110.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.709 HG23 ' O ' ' A' 2063 ' ' GLN . 2.0 p -160.58 -169.05 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 71.13 110.457 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' 2065 ' ' LEU . 0.3 OUTLIER -66.69 -28.1 68.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 64.21 109.268 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.27 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 73.44 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.553 ' HG2' ' CH2' ' A' 2023 ' ' TRP . 3.3 tp10 -76.55 -18.47 58.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 74.22 110.279 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 15.7 m -63.19 -35.85 81.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.24 110.422 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.5 m -70.76 -31.64 68.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.11 109.986 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.553 ' HE2' HG22 ' A' 2111 ' ' ILE . 32.0 t80 -66.18 -52.68 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 65.41 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.505 ' O ' ' CA ' ' A' 2075 ' ' GLY . 28.9 t-20 -63.5 -29.12 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 61.45 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.6 -53.2 7.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 73.15 110.371 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.0 -46.44 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 61.13 109.241 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.58 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.5 m-85 -97.8 -14.98 20.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 75.3 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.44 -39.42 1.15 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 43.2 111.043 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -51.74 9.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.376 0.692 . . . . 71.12 110.248 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.05 -54.15 43.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 74.41 109.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.771 HD11 ' HH2' ' A' 2027 ' ' TRP . 16.9 mt -52.95 -36.59 60.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 73.32 109.295 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 ttp -63.16 -47.24 83.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 71.15 110.94 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 29.8 tt0 -64.38 -58.54 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.635 1.209 . . . . 74.02 110.361 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.751 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.12 -42.13 65.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.23 109.238 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.97 -39.33 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 74.13 110.309 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -37.51 87.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.22 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.549 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 98.7 m95 -68.21 -33.88 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.015 -1.105 . . . . 63.54 108.015 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.95 -55.81 12.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 73.24 108.259 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.76 -44.22 86.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 72.53 110.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.549 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.48 -34.68 75.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 62.13 109.198 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.561 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.4 OUTLIER -74.92 -42.66 57.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 72.34 111.081 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.489 ' HE1' ' CG ' ' A' 2048 ' ' PHE . 1.3 mtt -62.35 -32.34 73.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.11 110.956 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -48.6 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 64.15 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.9 t -77.2 -67.41 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 75.31 109.946 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 101.71 108.13 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.422 1.076 . . . . 54.35 111.019 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.46 120.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 74.03 109.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 t -56.72 -40.07 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.112 . . . . 65.13 109.31 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 15.1 tttt -49.41 -46.6 47.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 75.33 109.253 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -37.15 81.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 73.51 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.839 ' CD1' HG11 ' A' 2044 ' ' VAL . 0.4 OUTLIER -62.27 -43.72 98.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 63.5 109.293 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 27.8 m -62.89 -47.04 85.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 73.11 110.368 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' 2103 ' ' LEU . 0.0 OUTLIER -53.61 -51.5 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 64.33 110.215 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.3 -44.05 95.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.53 109.315 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.486 ' CH2' ' HG ' ' A' 2031 ' ' LEU . 2.3 m95 -60.54 -30.74 69.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 124.481 1.113 . . . . 75.23 108.081 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.83 -51.0 60.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 74.11 109.319 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.751 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 8.0 mp -53.76 -53.35 53.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 65.01 109.397 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -54.04 -56.17 20.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.22 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.7 OUTLIER -48.17 -35.87 12.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 62.12 110.98 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . 0.472 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.0 OUTLIER -64.68 -44.66 89.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 63.35 109.59 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 2103 ' ' LEU . 0.8 OUTLIER -78.07 -37.26 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 72.3 109.307 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.16 ' CG ' HD22 ' A' 2031 ' ' LEU . 11.0 m-85 -71.24 -34.61 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.085 . . . . 63.14 111.039 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -80.86 -28.35 36.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 74.53 110.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . 0.445 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -70.68 -50.79 32.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 62.41 110.33 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.585 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 9.2 pt -42.68 -32.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 64.23 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 15.7 p -87.85 -54.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 52.25 109.949 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 123.62 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 73.45 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 72.33 110.322 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.552 0.215 . . . . 71.5 110.943 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.25 -10.48 56.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 72.12 110.206 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.01 -176.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 72.34 109.218 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.442 ' O ' ' NH1' ' A' 2018 ' ' ARG . 4.4 mm 60.69 150.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 72.52 109.359 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' 2017 ' ' ILE . 0.0 OUTLIER -179.04 129.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 70.15 110.41 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.496 HG11 HD13 ' A' 2022 ' ' LEU . 48.3 t -51.23 136.23 30.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 73.24 109.288 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.447 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.1 Cg_endo -75.01 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 74.24 111.024 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 1.5 pp -104.94 96.58 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 72.31 109.266 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.539 HD23 ' ND1' ' A' 2024 ' ' HIS . 3.2 tp -167.22 178.32 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 74.11 109.231 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.59 ' CE3' ' SD ' ' A' 2058 ' ' MET . 5.4 m0 -73.81 -51.42 16.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 74.22 108.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.539 ' ND1' HD23 ' A' 2022 ' ' LEU . 4.0 m80 -47.51 -22.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 75.23 109.693 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' 2029 ' ' GLU . 8.7 tp10 -72.95 -35.59 67.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 74.1 110.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -75.18 -32.05 61.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 52.01 111.046 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.745 ' HH2' HD11 ' A' 2078 ' ' LEU . 70.8 m95 -72.55 -49.8 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.016 -1.105 . . . . 74.4 108.016 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -56.08 -58.39 8.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 70.11 109.677 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.6 pp20? -68.29 -35.15 77.42 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.419 1.074 . . . . 74.21 110.416 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.81 -64.52 4.29 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.503 1.127 . . . . 44.13 111.13 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.127 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.9 tp -59.9 -32.6 70.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 71.33 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 12.5 mm-40 -53.29 -48.6 68.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.03 110.294 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -74.63 -50.18 18.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 73.45 110.19 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.609 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -51.46 -39.96 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 52.13 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.42 ' HG ' ' HD2' ' A' 2039 ' ' PHE . 3.2 t -76.99 -49.54 15.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 43.4 109.987 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -46.44 50.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 74.45 110.365 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' 2041 ' ' GLU . 4.4 pp -70.64 -46.11 63.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 63.33 109.245 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.531 ' HD1' HG12 ' A' 2044 ' ' VAL . 41.8 t80 -53.04 -46.79 68.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 74.32 111.036 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . 0.42 ' HD2' ' HG ' ' A' 2035 ' ' SER . 42.3 m-85 -77.31 -46.28 23.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.375 1.047 . . . . 73.2 110.982 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -83.42 -73.04 1.26 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.545 1.153 . . . . 61.43 111.042 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' 2037 ' ' LEU . 1.5 tp10 -48.07 -25.72 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 0.741 . . . . 73.12 110.369 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' 2037 ' ' LEU . 1.7 mmt180 63.38 20.87 12.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 73.52 110.406 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.506 ' O ' ' CD1' ' A' 2037 ' ' LEU . 1.9 m-20 -124.82 127.45 47.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 73.12 109.33 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 1.089 HG11 HD21 ' A' 2097 ' ' LEU . 34.0 m -81.79 -12.85 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 63.15 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -33.85 64.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 72.24 109.246 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.793 ' O ' HG23 ' A' 2050 ' ' VAL . . . -70.44 -39.58 69.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.605 1.191 . . . . 73.34 111.048 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.609 ' HA ' ' HB1' ' A' 2034 ' ' ALA . 8.2 tmm? -64.88 -42.23 94.99 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.466 0.744 . . . . 74.11 111.016 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.609 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 11.9 m-85 -73.12 -38.32 66.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 71.34 111.039 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.539 ' O ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -76.38 -14.69 60.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.23 110.271 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.954 ' O ' HD22 ' A' 2054 ' ' LEU . 4.4 t -84.92 -42.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 73.34 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.589 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.7 -46.18 26.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 71.1 109.273 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.4 OUTLIER -35.3 -54.6 1.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 52.01 110.24 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.583 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.97 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.459 1.768 . . . . 64.21 110.962 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.11 -55.76 11.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 72.52 109.281 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 61.1 m170 -60.07 -51.63 68.79 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.551 1.157 . . . . 64.44 109.669 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.66 -51.92 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 71.21 109.401 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.51 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.28 -37.29 46.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 73.14 111.056 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.59 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -69.57 -31.34 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 53.31 110.978 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.29 -63.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 73.31 110.212 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' 2056 ' ' ALA . 17.4 ptp180 -72.17 -17.7 61.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 72.5 110.303 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.64 75.79 0.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 61.12 110.978 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.411 1.743 . . . . 71.15 110.963 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -146.33 -70.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 64.43 110.169 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.499 HG23 ' H ' ' A' 2066 ' ' LYS . 7.9 t -161.84 -171.81 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 63.2 110.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -65.63 -34.68 78.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 61.41 109.29 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . 0.499 ' H ' HG23 ' A' 2064 ' ' THR . 7.1 mttp -62.63 -32.65 73.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 71.51 109.254 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.94 -19.84 28.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.381 1.051 . . . . 63.21 110.316 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 4.3 m -64.18 -34.53 78.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 65.32 110.349 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 8.5 t -71.29 -33.55 69.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 65.34 109.991 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.544 ' HE2' HG22 ' A' 2111 ' ' ILE . 5.4 t80 -63.45 -54.14 41.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.15 111.05 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 2.4 t30 -62.43 -28.75 70.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.616 1.197 . . . . 72.53 109.373 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.65 -43.71 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 60.03 110.251 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -54.28 -44.9 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 73.54 109.186 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.1 m-85 -98.97 -9.09 24.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 65.42 110.935 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -44.33 -47.57 8.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 44.13 111.067 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -67.39 -27.38 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 63.51 110.363 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' 2074 ' ' TYR . 6.1 m-20 -80.77 -50.35 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 71.01 109.289 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.745 HD11 ' HH2' ' A' 2027 ' ' TRP . 9.3 mt -59.82 -41.54 91.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 72.43 109.33 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . 0.518 ' CG ' ' N ' ' A' 2080 ' ' GLU . 11.6 ptm -69.08 -42.55 76.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 73.02 111.043 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' 2079 ' ' MET . 1.4 tt0 -67.05 -56.55 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 74.51 110.241 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -55.22 -41.83 72.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 63.52 109.211 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.63 -42.64 79.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 65.12 110.289 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.443 ' HG3' ' CE ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -64.92 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.379 1.049 . . . . 72.12 110.301 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.21 -34.73 78.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 74.23 108.052 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.609 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.9 t -60.66 -55.78 29.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 74.45 108.325 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -32.16 65.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 75.23 110.18 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' 2091 ' ' SER . 9.3 mttt -61.41 -49.93 74.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 73.42 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.45 ' O ' ' HA2' ' A' 2092 ' ' GLY . 5.0 t80 -72.59 -31.89 65.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 61.41 110.918 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.461 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 0.3 OUTLIER -67.3 -36.74 82.14 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.535 1.147 . . . . 75.33 110.925 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 -57.03 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.173 . . . . 54.12 109.341 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.1 t -63.23 -63.94 1.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 71.14 110.031 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 100.29 77.66 1.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 55.12 110.959 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.49 116.89 6.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.795 . . . . 62.22 109.33 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' 2097 ' ' LEU . 3.0 t -54.97 -35.95 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 55.23 109.292 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -49.82 -51.6 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 73.33 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.24 109.225 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 1.089 HD21 HG11 ' A' 2044 ' ' VAL . 2.5 tp -63.62 -46.85 83.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 73.33 109.262 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.0 m -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.12 110.422 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.481 1.113 . . . . 73.12 110.392 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.441 ' O ' ' CD2' ' A' 2104 ' ' TYR . . . -61.62 -39.89 92.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 71.21 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.413 ' CE2' ' HG3' ' A' 2047 ' ' MET . 0.5 OUTLIER -68.42 -30.43 69.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.956 -1.127 . . . . 62.22 107.956 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.34 -50.38 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.34 109.27 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.706 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 13.7 mt -54.93 -51.67 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 64.04 109.359 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' 2100 ' ' ALA . 19.0 m-85 -53.57 -56.27 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 71.41 111.048 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.507 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.54 -37.14 25.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.25 110.995 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.04 79.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 74.52 109.558 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.7 OUTLIER -72.3 -48.45 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 70.21 109.345 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.127 ' CG ' HD22 ' A' 2031 ' ' LEU . 14.5 m-85 -60.99 -29.8 69.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 74.41 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.5 tpt180 -77.14 -39.35 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.34 110.231 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -51.44 69.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 74.4 110.371 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.544 HG22 ' HE2' ' A' 2070 ' ' PHE . 14.5 pt -46.79 -27.84 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 65.03 109.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . 0.448 ' C ' ' N ' ' A' 2114 ' ' GLN . 2.0 p -93.93 -50.62 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 55.41 110.025 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' 2113 ' ' LYS . 0.2 OUTLIER -40.28 -30.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 73.14 109.253 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' 2112 ' ' SER . 6.0 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.23 110.292 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.448 0.166 . . . . 71.23 110.976 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.19 -23.66 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 73.54 110.296 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' 2016 ' ' LEU . 0.3 OUTLIER -153.86 144.01 22.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 72.15 109.303 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.32 159.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 61.12 109.276 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.09 122.73 48.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 74.25 110.279 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . . . . . . . . . 2.8 p -39.96 133.38 1.45 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 62.32 109.309 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.451 ' HA ' ' CD ' ' A' 2025 ' ' GLU . 18.1 Cg_endo -75.06 -37.7 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 73.34 111.019 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.454 ' O ' HD12 ' A' 2021 ' ' ILE . 1.7 pp -106.57 98.99 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 61.1 109.361 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.839 HD13 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -179.2 163.58 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 73.35 109.388 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.839 ' H ' HD13 ' A' 2022 ' ' LEU . 1.4 m0 -57.59 -48.35 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.951 -1.129 . . . . 73.32 107.951 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.725 ' ND1' HD12 ' A' 2022 ' ' LEU . 11.8 m80 -47.76 -30.46 3.94 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.567 1.167 . . . . 64.52 109.652 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.451 ' CD ' ' HA ' ' A' 2020 ' ' PRO . 4.5 tp10 -69.67 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.134 . . . . 70.32 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.3 OUTLIER -70.97 -39.43 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.593 1.183 . . . . 74.22 111.007 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.745 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.3 m95 -65.5 -50.98 63.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.55 107.912 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -52.9 -54.06 40.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.3 109.571 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' 2028 ' ' HIS . 4.1 mm-40 -67.29 -43.54 81.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 72.02 110.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.476 ' HA3' ' CD2' ' A' 2054 ' ' LEU . . . -53.86 -65.23 3.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 75.03 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.119 HD22 ' CG ' ' A' 2108 ' ' PHE . 3.3 tp -58.75 -30.61 67.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 0.793 . . . . 75.03 109.29 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 0.7 OUTLIER -54.03 -50.92 65.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 72.21 110.396 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.05 -51.57 13.2 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.525 1.14 . . . . 64.43 110.263 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' 2038 ' ' TYR . . . -52.06 -43.96 64.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.411 1.069 . . . . 42.35 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' 2031 ' ' LEU . 60.1 p -72.36 -51.26 21.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 72.34 110.068 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -50.01 53.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 75.22 110.326 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' 2038 ' ' TYR . 4.2 pp -67.91 -45.08 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 70.52 109.302 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.648 ' N ' HD12 ' A' 2037 ' ' LEU . 46.7 t80 -56.04 -50.51 70.74 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 74.23 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -76.43 -45.74 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 71.42 111.014 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -79.5 -71.97 1.22 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 64.23 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' 2042 ' ' ARG . 4.3 tp10 -49.15 -43.88 42.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 61.41 110.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' 2041 ' ' GLU . 4.2 tpt180 86.38 11.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.621 1.2 . . . . 64.12 110.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.435 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 11.5 m-20 -112.27 125.42 54.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 74.1 109.3 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.965 HG11 HD21 ' A' 2097 ' ' LEU . 30.8 m -81.95 -26.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 71.33 109.3 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.25 -39.35 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.02 109.26 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' 2050 ' ' VAL . . . -61.74 -52.09 53.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.427 1.079 . . . . 73.12 111.004 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.469 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 5.9 tmm? -52.6 -41.35 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 71.32 110.988 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.638 ' CE2' ' CE2' ' A' 2088 ' ' TYR . 31.5 m-85 -67.7 -38.09 83.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 70.44 111.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.517 ' O ' ' CD ' ' A' 2053 ' ' PRO . 21.2 mt-10 -75.16 -15.1 60.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.384 1.053 . . . . 71.53 110.369 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.54 ' C ' ' HD2' ' A' 2053 ' ' PRO . 23.6 t -84.07 -45.58 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.614 1.196 . . . . 60.02 109.368 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.645 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -75.92 -43.48 44.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 74.31 109.264 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.497 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 1.6 mt-10 -35.16 -57.03 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 74.02 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.54 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.93 -46.08 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.438 1.757 . . . . 73.41 111.022 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.518 ' HG ' ' CG ' ' A' 2026 ' ' MET . 0.2 OUTLIER -49.63 -56.12 11.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.561 1.163 . . . . 73.35 109.289 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 47.2 m170 -60.25 -52.54 64.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 73.51 109.556 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -49.56 -51.03 39.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 73.43 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.477 ' CE ' ' HG3' ' A' 2026 ' ' MET . 0.0 OUTLIER -51.71 -39.93 59.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 63.5 111.068 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.672 ' CE ' ' CD2' ' A' 2023 ' ' TRP . 0.4 OUTLIER -73.41 -25.87 60.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 70.35 110.966 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.7 mt-10 -77.85 -63.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.649 1.218 . . . . 74.5 110.364 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' 2056 ' ' ALA . 19.1 ptt180 -68.02 -27.14 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.13 110.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -131.77 91.09 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 51.04 111.002 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.496 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -75.04 -96.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.542 1.812 . . . . 73.14 110.925 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' 2062 ' ' PRO . 0.0 OUTLIER 177.39 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.459 1.099 . . . . 72.42 110.273 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' 2065 ' ' LEU . 2.1 t -163.49 177.4 8.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.15 110.457 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.1 OUTLIER -58.7 -26.56 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.629 1.206 . . . . 73.14 109.33 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -67.99 -52.78 31.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 71.04 109.312 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -68.8 -23.76 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.345 1.028 . . . . 61.15 110.357 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 27.8 m -55.11 -26.95 41.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 73.22 110.449 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 33.9 t -74.05 -33.75 63.82 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.458 1.099 . . . . 65.1 109.916 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.419 ' CE2' ' CE3' ' A' 2023 ' ' TRP . 5.1 t80 -72.39 -53.52 12.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 75.11 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' 2075 ' ' GLY . 18.3 t-20 -54.84 -31.7 59.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.607 1.192 . . . . 74.35 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.53 -41.28 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 54.55 110.381 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.45 89.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.11 109.24 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.509 ' CD2' ' HB ' ' A' 2107 ' ' VAL . 2.0 m-85 -91.38 -19.72 22.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 75.13 110.994 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' 2074 ' ' TYR . . . -34.82 -48.87 0.73 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 72.41 110.978 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -72.81 -43.61 62.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 64.34 110.355 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' 2074 ' ' TYR . 11.9 m-20 -56.21 -65.61 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.5 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.745 HD11 ' HH2' ' A' 2027 ' ' TRP . 8.0 mt -52.54 -33.59 46.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.25 109.389 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' 2075 ' ' GLY . 1.9 mtt -57.58 -47.32 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.42 111.001 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -66.49 -56.64 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 74.42 110.407 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -57.0 -41.69 78.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 75.21 109.304 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -62.05 -35.02 77.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.311 1.007 . . . . 53.35 110.358 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.517 ' HA ' ' HD3' ' A' 2086 ' ' ARG . 0.0 OUTLIER -67.51 -37.47 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 65.41 110.276 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.405 ' HA ' ' HB3' ' A' 2087 ' ' LYS . 99.1 m95 -76.11 -21.0 57.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 72.11 107.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 3.3 t -70.68 -60.34 2.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 73.31 108.317 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.517 ' HD3' ' HA ' ' A' 2083 ' ' GLU . 2.6 ptt-85 -66.26 -27.36 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 70.44 110.343 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -69.32 -35.66 76.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.579 1.175 . . . . 73.43 109.32 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.638 ' CE2' ' CE2' ' A' 2048 ' ' PHE . 6.9 t80 -73.22 -46.3 51.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 63.5 111.013 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -33.93 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 73.22 111.01 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -49.56 7.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 72.4 109.297 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2087 ' ' LYS . 4.2 t -78.79 -69.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 75.41 110.03 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.26 92.06 2.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 70.5 111.064 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.3 130.74 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 65.43 109.209 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.8 t -64.93 -50.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 75.02 109.365 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -49.3 -48.57 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 74.21 109.364 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -44.46 90.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 72.02 109.282 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.965 HD21 HG11 ' A' 2044 ' ' VAL . 3.0 tp -53.56 -49.99 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 74.42 109.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 55.0 m -59.68 -39.09 83.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 75.22 110.341 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.53 -47.81 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.14 110.289 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.26 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 50.2 109.306 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -31.32 66.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.571 1.169 . . . . 74.15 108.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -50.69 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 70.32 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.722 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 16.8 mt -55.7 -50.36 70.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 55.52 109.264 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' 2107 ' ' VAL . 9.4 m-85 -54.25 -55.28 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 55.3 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.13 -39.85 30.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 72.31 110.963 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -47.76 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 72.21 109.631 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' 2103 ' ' LEU . 0.6 OUTLIER -71.35 -48.51 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 63.43 109.293 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.119 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.0 m-85 -59.75 -31.06 69.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 73.15 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' 2105 ' ' TYR . 14.0 ttp180 -77.95 -35.01 50.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 73.11 110.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -52.11 63.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.416 1.072 . . . . 73.41 110.331 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.595 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 12.6 pt -44.61 -34.7 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 51.45 109.253 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.6 OUTLIER -79.73 -53.41 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 52.11 109.939 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' 2112 ' ' SER . 8.6 mptt -40.25 111.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 71.13 109.375 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.2 110.182 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.453 0.168 . . . . 71.32 110.981 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -89.42 -8.38 53.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 74.13 110.218 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.81 174.64 7.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.169 . . . . 75.33 109.26 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 3.6 mp 63.29 139.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.609 1.193 . . . . 73.05 109.287 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.98 141.29 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 75.02 110.35 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' 2020 ' ' PRO . 54.7 t -62.03 140.05 95.88 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 73.01 109.387 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.615 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.1 Cg_endo -74.96 -90.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.509 1.794 . . . . 74.11 111.016 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.743 ' O ' HD12 ' A' 2021 ' ' ILE . 2.0 pp -62.42 81.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 72.25 109.273 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.573 HD13 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -147.34 153.48 39.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 72.1 109.304 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.573 ' H ' HD13 ' A' 2022 ' ' LEU . 5.7 m0 -51.98 -54.74 26.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.452 1.095 . . . . 72.21 108.1 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.8 m170 -47.35 -22.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 75.22 109.578 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' 2022 ' ' LEU . 6.4 tp10 -72.3 -38.67 68.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 63.11 110.331 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.542 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.92 -31.53 66.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.143 . . . . 74.54 111.053 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.769 ' HH2' HD11 ' A' 2078 ' ' LEU . 57.0 m95 -69.25 -50.54 46.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 75.44 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -56.36 -53.73 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 71.3 109.693 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' 2025 ' ' GLU . 1.9 mm-40 -65.51 -38.56 90.05 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.51 1.131 . . . . 73.11 110.266 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -55.16 -65.32 3.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.375 1.047 . . . . 64.03 110.903 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.046 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.9 mt -58.12 -31.08 66.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 74.51 109.36 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.5 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.87 -50.54 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 71.25 110.292 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.5 ' N ' ' HG2' ' A' 2032 ' ' GLU . 2.7 tt0 -73.57 -45.79 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 74.34 110.326 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.803 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -55.4 -49.43 72.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 43.2 109.262 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 22.8 p -60.4 -43.81 96.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 72.55 109.922 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' 2040 ' ' GLY . 1.9 ttt-85 -55.96 -37.51 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.03 110.337 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.597 HD13 ' C ' ' A' 2046 ' ' GLY . 2.4 mt -71.61 -34.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.386 1.054 . . . . 63.33 109.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' 2041 ' ' GLU . 84.0 t80 -76.67 -53.39 8.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 73.11 111.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -75.08 -45.41 41.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 72.1 111.02 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -61.95 -53.28 44.15 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.456 1.098 . . . . 60.11 111.011 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' 2037 ' ' LEU . 5.7 pt-20 -132.02 -172.0 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 74.44 110.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.78 30.65 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 72.21 110.332 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.526 ' ND2' ' CG ' ' A' 2045 ' ' LYS . 2.2 t30 -102.48 87.57 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 70.23 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.573 HG12 ' CD2' ' A' 2048 ' ' PHE . 6.4 t -68.15 -21.64 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 73.35 109.294 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.526 ' CG ' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -52.9 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 75.12 109.322 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.724 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.97 -54.69 27.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.409 1.068 . . . . 71.41 111.059 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.803 ' CG ' ' HB1' ' A' 2034 ' ' ALA . 12.5 tmm? -54.72 -49.05 71.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.426 0.721 . . . . 74.43 111.006 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.609 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.6 m-85 -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 74.33 110.949 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.8 mm-40 -76.24 -13.74 60.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 72.44 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' 2046 ' ' GLY . 24.2 t -83.28 -44.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.652 1.22 . . . . 54.13 109.358 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.656 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.83 -45.47 28.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 74.02 109.295 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 2051 ' ' LEU . 2.5 mm-40 -34.5 -54.63 0.92 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.595 1.184 . . . . 74.43 110.305 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' 2050 ' ' VAL . 17.8 Cg_endo -75.1 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.587 1.835 . . . . 64.42 110.915 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.672 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.29 -55.76 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.331 1.019 . . . . 73.24 109.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 52.2 m170 -59.85 -51.88 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 74.41 109.562 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.16 -49.62 63.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.512 1.133 . . . . 53.32 109.344 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.513 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.63 -37.63 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 63.33 110.974 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.534 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 2.2 mmt -68.15 -35.83 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 64.12 110.967 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.99 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 64.42 110.33 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.5 ptm85 -69.97 -22.04 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 71.55 110.335 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.93 80.67 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 72.14 111.042 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -161.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.579 1.831 . . . . 70.12 111.038 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.416 ' O ' ' HB ' ' A' 2064 ' ' THR . 2.8 mm-40 -142.58 -68.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.542 1.152 . . . . 72.43 110.38 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.589 HG23 ' HB2' ' A' 2066 ' ' LYS . 5.1 t -176.51 172.29 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 73.45 110.381 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.1 OUTLIER -47.77 -29.47 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 62.41 109.228 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . 0.589 ' HB2' HG23 ' A' 2064 ' ' THR . 1.3 mttp -67.05 -51.53 53.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 74.35 109.341 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.551 ' OE1' ' CE3' ' A' 2023 ' ' TRP . 7.7 mm-40 -70.73 -25.05 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.54 110.281 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 18.1 m -54.53 -34.33 61.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 74.21 110.37 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -41.54 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 73.44 110.089 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.506 ' HE2' HG22 ' A' 2111 ' ' ILE . 9.2 t80 -61.94 -53.64 52.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 72.45 110.999 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' 2075 ' ' GLY . 4.7 t30 -58.42 -30.65 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 71.03 109.32 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -79.56 -35.34 39.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 52.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -58.98 -27.97 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 73.4 109.25 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.783 ' HD1' HG22 ' A' 2107 ' ' VAL . 56.1 m-85 -114.33 -18.02 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 73.13 110.993 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.45 -43.57 0.54 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.401 1.063 . . . . 75.05 110.921 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -41.91 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 75.03 110.343 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.2 m-20 -57.92 -61.89 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 70.24 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.769 HD11 ' HH2' ' A' 2027 ' ' TRP . 29.6 mt -51.78 -35.84 45.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 64.12 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.41 81.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 63.04 111.033 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.498 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 39.7 tt0 -64.33 -60.05 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 70.41 110.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.527 ' HB1' ' CZ ' ' A' 2104 ' ' TYR . . . -52.37 -41.95 63.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 31.15 109.369 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.3 tt0 -59.02 -39.17 81.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 72.21 110.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.519 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.08 -35.71 82.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 75.5 110.182 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.82 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.1 m95 -74.88 -24.06 58.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.975 -1.12 . . . . 74.43 107.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.609 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.4 t -69.75 -58.93 3.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 74.22 108.349 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.5 OUTLIER -64.8 -27.78 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 72.41 110.307 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.452 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.57 -35.07 72.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 71.51 109.376 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . . . . . . . . . 16.0 t80 -74.82 -51.32 14.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 73.33 110.991 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.6 mtt -59.69 -34.29 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 73.55 110.941 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.456 ' O ' ' HD3' ' A' 2090 ' ' LYS . 0.0 OUTLIER -68.49 -59.02 3.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 71.12 109.233 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.76 70.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 63.13 110.057 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -118.6 -150.39 8.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.585 1.178 . . . . 52.04 110.955 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t30 -147.66 159.45 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.395 0.703 . . . . 63.32 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.93 -41.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 75.34 109.207 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -49.48 50.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 53.32 109.289 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -42.48 94.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 65.1 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' 2097 ' ' LEU . 0.3 OUTLIER -58.6 -45.05 89.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 62.12 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 22.6 m -59.5 -46.82 87.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 72.21 110.399 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.408 ' NE2' HD11 ' A' 2103 ' ' LEU . 0.0 OUTLIER -55.07 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 61.32 110.213 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.58 -41.57 77.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 64.33 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 1.046 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -65.33 -33.99 77.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.879 -1.156 . . . . 71.12 107.879 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -50.34 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 64.25 109.253 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.1 mp -59.45 -49.19 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.51 109.282 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.527 ' CZ ' ' HB1' ' A' 2081 ' ' ALA . 11.3 m-85 -59.25 -50.22 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 65.12 110.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.52 -48.17 38.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 64.32 110.965 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.045 . . . . 75.2 109.567 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.783 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.8 t -62.51 -56.61 16.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 64.11 109.243 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.752 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 36.8 m-85 -65.33 -28.23 69.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 74.14 111.001 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -25.34 57.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.383 1.052 . . . . 72.43 110.282 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -51.46 10.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.3 110.319 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.578 HG23 ' OH ' ' A' 2074 ' ' TYR . 13.6 pt -44.71 -30.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 75.53 109.292 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 6.1 t -86.24 -54.58 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 53.32 109.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 61.05 109.246 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 53.04 110.26 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.585 0.231 . . . . 61.1 110.915 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -108.42 -10.85 15.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 70.05 110.299 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.58 -2.08 57.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.604 1.19 . . . . 64.44 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 3.8 mt -105.02 136.44 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 63.24 109.299 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 115.16 29.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 73.44 110.346 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' 2020 ' ' PRO . 80.0 t -118.72 142.12 31.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 72.45 109.359 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.1 Cg_endo -74.96 -43.21 0.42 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.511 1.795 . . . . 74.04 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.632 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -97.82 74.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 73.0 109.248 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.624 HD23 HG11 ' A' 2019 ' ' VAL . 0.1 OUTLIER -141.66 -159.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.11 109.31 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.542 ' H ' HD12 ' A' 2022 ' ' LEU . 4.9 m0 -69.89 -51.23 34.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 73.32 107.973 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.9 m80 -46.11 -23.21 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 74.13 109.613 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' 2029 ' ' GLU . 3.4 tt0 -70.41 -40.55 73.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 71.14 110.271 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.574 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.1 OUTLIER -69.36 -32.37 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 53.14 110.962 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.804 ' HH2' HD11 ' A' 2078 ' ' LEU . 61.2 m95 -68.2 -50.68 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.957 -1.127 . . . . 74.34 107.957 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' 2029 ' ' GLU . 0.0 OUTLIER -60.94 -53.17 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 74.53 109.695 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' 2025 ' ' GLU . 4.0 mm-40 -58.79 -44.92 90.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.22 110.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -51.33 -63.78 4.36 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.462 1.101 . . . . 71.22 111.068 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.046 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.4 mt -56.31 -32.68 64.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 0.702 . . . . 74.54 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -55.13 31.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 70.52 110.317 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.73 -46.42 53.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 72.12 110.353 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.672 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -52.51 -48.96 65.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 73.11 109.283 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 84.0 p -62.12 -41.75 98.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 73.31 110.031 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -35.24 69.74 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.43 1.081 . . . . 72.34 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.818 HD13 ' C ' ' A' 2046 ' ' GLY . 1.5 mt -70.69 -45.63 64.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 60.11 109.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.422 ' HD1' HG22 ' A' 2044 ' ' VAL . 48.7 t80 -54.9 -55.54 29.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 74.21 111.078 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . 0.406 ' CE1' ' HD2' ' A' 2038 ' ' TYR . 31.5 m-85 -74.91 -31.42 61.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 74.22 110.998 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -47.49 -69.47 0.9 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.604 1.19 . . . . 63.41 110.99 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.438 ' CD ' ' ND2' ' A' 2043 ' ' ASN . 2.3 pt-20 -147.47 49.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 71.3 110.235 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 41.49 36.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 72.35 110.299 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.438 ' ND2' ' CD ' ' A' 2041 ' ' GLU . 61.3 m-20 -101.1 84.02 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 74.45 109.266 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.794 HG12 ' CE2' ' A' 2048 ' ' PHE . 41.8 t -64.15 -21.46 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.498 1.123 . . . . 73.22 109.282 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.29 -41.19 60.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.37 1.044 . . . . 70.4 109.249 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.884 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.83 -54.49 28.06 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 34.43 111.078 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.619 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 10.6 tmm? -57.13 -51.82 67.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 73.14 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.794 ' CE2' HG12 ' A' 2044 ' ' VAL . 9.4 m-85 -51.42 -45.18 62.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 72.1 111.015 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 7.5 pt-20 -74.26 -15.09 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 62.05 110.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' 2046 ' ' GLY . 46.1 t -85.64 -44.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.327 1.017 . . . . 65.33 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -77.07 -42.54 37.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 73.31 109.276 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' 2048 ' ' PHE . 2.8 mt-10 -37.97 -55.15 2.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 73.43 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.576 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.1 Cg_endo -75.04 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.389 1.731 . . . . 64.24 110.981 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.741 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -47.77 -55.55 9.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.22 109.312 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 67.6 m170 -60.43 -52.57 64.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 60.33 109.653 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -52.12 -51.29 58.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 24.14 109.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.528 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.14 -38.56 39.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 44.12 110.977 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.574 ' HE3' ' CE ' ' A' 2026 ' ' MET . 3.5 mmt -70.19 -30.5 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.387 1.054 . . . . 65.4 110.958 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' 2055 ' ' HIS . 2.8 mt-10 -77.98 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 62.11 110.355 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' 2056 ' ' ALA . 9.7 ptm180 -72.57 -19.88 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 73.53 110.353 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.26 84.28 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 72.31 110.938 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -161.05 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.457 1.767 . . . . 65.11 110.968 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -68.41 0.33 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.566 1.166 . . . . 54.43 110.354 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' 2065 ' ' LEU . 1.4 t -175.21 174.18 2.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.451 1.095 . . . . 73.5 110.352 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.3 OUTLIER -57.49 -28.54 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 70.11 109.301 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 6.1 tptt -68.01 -35.61 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 65.22 109.335 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.6 -19.3 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 62.54 110.33 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 2.6 m -54.34 -36.29 63.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 65.11 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -37.03 86.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 72.41 110.084 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.577 ' HE2' HG21 ' A' 2111 ' ' ILE . 0.6 OUTLIER -71.18 -52.09 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.1 110.958 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.505 ' N ' ' CD1' ' A' 2070 ' ' PHE . 1.6 t-20 -54.08 -32.99 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 71.35 109.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -79.2 -42.31 26.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.11 110.222 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -49.08 -39.16 26.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 71.14 109.292 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.781 ' HD1' HG22 ' A' 2107 ' ' VAL . 54.5 m-85 -106.07 -18.02 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.52 110.977 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -36.7 -45.73 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 73.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -42.73 23.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 65.34 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.24 -60.91 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.23 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.804 HD11 ' HH2' ' A' 2027 ' ' TRP . 21.6 mt -51.88 -36.25 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 74.34 109.201 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -48.22 82.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 64.13 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.33 110.311 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -53.53 -41.91 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 62.14 109.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.3 tp60 -55.55 -43.27 75.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.59 1.181 . . . . 73.4 110.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -35.84 81.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.34 110.245 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.551 ' CZ3' ' NZ ' ' A' 2087 ' ' LYS . 91.4 m95 -64.7 -33.48 76.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.02 107.97 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 7.7 t -67.44 -56.62 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.43 108.236 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.14 -37.47 66.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 73.53 110.253 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.551 ' NZ ' ' CZ3' ' A' 2084 ' ' TRP . 0.0 OUTLIER -63.85 -40.86 97.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.15 109.335 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.586 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.5 OUTLIER -73.66 -37.8 65.17 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.536 1.147 . . . . 60.2 111.023 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.672 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.3 mtt -65.0 -33.43 76.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 64.22 111.035 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.0 -42.92 10.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.664 1.227 . . . . 74.11 109.192 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 2.7 t -83.42 -69.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 64.12 110.011 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.17 89.56 2.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 53.0 111.038 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -159.4 120.07 3.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.41 109.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.0 p -50.76 -39.45 18.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 71.01 109.303 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -51.63 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 62.51 109.33 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -36.92 85.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 74.01 109.215 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.718 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -63.26 -48.56 77.65 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.5 1.125 . . . . 53.13 109.342 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 54.9 m -57.45 -41.39 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 73.33 110.439 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -61.65 -45.41 94.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 53.13 110.228 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.56 82.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 62.33 109.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.624 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.1 OUTLIER -62.94 -30.39 71.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 72.22 107.961 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -50.57 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 74.3 109.324 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.773 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 10.7 mt -57.07 -45.46 83.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 73.31 109.334 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.79 -46.77 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 73.32 111.043 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.489 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.51 -49.94 33.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 75.14 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -62.53 -43.55 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 71.43 109.665 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.781 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.6 t -62.83 -56.94 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.418 1.074 . . . . 53.12 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.046 ' CG ' HD11 ' A' 2031 ' ' LEU . 23.2 m-85 -64.09 -27.9 69.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 73.55 110.978 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' 2105 ' ' TYR . 14.9 ttm-85 -74.2 -25.73 59.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 73.35 110.353 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -52.01 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 62.35 110.272 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.728 HG23 ' OH ' ' A' 2074 ' ' TYR . 0.5 OUTLIER -56.48 -19.03 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 65.51 109.255 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -46.01 6.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 64.03 109.933 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' 2114 ' ' GLN . 1.3 ttpt -50.14 137.91 16.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 72.55 109.25 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . 0.415 ' N ' ' HG3' ' A' 2113 ' ' LYS . 47.6 mt-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 64.02 110.377 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.6 mtm . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.417 0.151 . . . . 72.32 110.961 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -111.5 -8.99 14.23 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.568 1.168 . . . . 73.24 110.369 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -89.2 175.74 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 75.15 109.271 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 2.6 mm 61.96 148.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.065 . . . . 75.22 109.393 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' 2018 ' ' ARG . 11.3 mmp_? -141.89 143.91 33.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 74.01 110.324 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.45 ' CG2' HG12 ' A' 2021 ' ' ILE . 0.2 OUTLIER -128.64 136.69 29.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 51.43 109.315 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -23.78 13.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.416 1.745 . . . . 52.2 110.99 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.45 HG12 ' CG2' ' A' 2019 ' ' VAL . 0.1 OUTLIER -105.67 93.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 71.41 109.353 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -170.16 -159.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.575 1.172 . . . . 64.15 109.327 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.603 ' CD1' ' HE2' ' A' 2058 ' ' MET . 1.4 m0 -71.56 -51.82 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 75.42 107.916 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 5.4 m80 -47.01 -24.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 70.41 109.554 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' 2023 ' ' TRP . 31.5 tt0 -70.73 -35.39 72.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 74.22 110.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.532 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.1 -32.57 65.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 72.44 110.968 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.791 ' HH2' HD11 ' A' 2078 ' ' LEU . 62.6 m95 -69.03 -50.36 49.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.35 107.965 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -54.61 42.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 62.43 109.609 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.63 -43.95 87.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 70.22 110.323 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -55.31 -64.03 4.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 52.4 111.074 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.141 HD22 ' CG ' ' A' 2108 ' ' PHE . 5.3 tp -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 73.42 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.19 -53.36 54.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 72.22 110.292 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -51.0 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 52.15 110.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.823 ' HB2' HG11 ' A' 2050 ' ' VAL . . . -54.15 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 73.05 109.281 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' 2031 ' ' LEU . 85.1 p -57.78 -48.97 78.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 64.44 110.062 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.502 ' O ' ' CA ' ' A' 2040 ' ' GLY . 1.2 ttt180 -52.74 -37.53 59.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 65.42 110.24 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.63 HD23 ' HB3' ' A' 2042 ' ' ARG . 6.6 mt -71.57 -33.62 69.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 74.22 109.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 20.4 t80 -78.9 -57.94 3.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.336 1.022 . . . . 73.12 110.952 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -76.13 -45.18 34.96 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.551 1.157 . . . . 72.33 110.953 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -77.26 -9.73 86.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 71.54 110.932 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' 2042 ' ' ARG . 6.3 tt0 61.17 142.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.5 0.764 . . . . 61.44 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.63 ' HB3' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER 174.31 -53.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 72.23 110.337 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 170.95 104.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.536 1.148 . . . . 65.15 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.657 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.7 t -45.6 -31.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 72.42 109.275 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.504 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -52.16 -36.74 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.621 1.201 . . . . 74.41 109.393 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -59.64 -53.83 42.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 70.32 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.906 ' O ' HD22 ' A' 2051 ' ' LEU . 7.2 tmm? -52.25 -47.66 65.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 0.73 . . . . 74.41 111.039 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.704 ' CD2' ' HE3' ' A' 2089 ' ' MET . 13.9 m-85 -63.8 -36.0 82.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 73.33 110.999 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.545 ' O ' ' CD ' ' A' 2053 ' ' PRO . 1.8 mm-40 -74.22 -15.13 61.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 70.15 110.231 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.823 HG11 ' HB2' ' A' 2034 ' ' ALA . 0.5 OUTLIER -83.82 -44.84 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 71.31 109.362 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' 2047 ' ' MET . 0.4 OUTLIER -77.15 -45.93 25.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 43.31 109.292 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.1 OUTLIER -34.31 -54.62 0.88 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 65.33 110.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.573 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -75.02 -51.52 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 63.5 111.035 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.532 HD22 ' SD ' ' A' 2026 ' ' MET . 70.1 mt -50.05 -56.53 10.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.509 1.131 . . . . 62.21 109.341 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' 2051 ' ' LEU . 28.9 m170 -58.29 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 74.32 109.584 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.79 -48.45 63.81 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.517 1.136 . . . . 54.14 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.504 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.7 -37.86 52.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 74.44 111.013 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.603 ' HE2' ' CD1' ' A' 2023 ' ' TRP . 0.3 OUTLIER -70.68 -35.33 72.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 64.11 110.956 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' 2055 ' ' HIS . 4.4 mm-40 -69.02 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 74.54 110.366 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' 2062 ' ' PRO . 34.2 ptt180 -71.48 -34.54 70.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.36 1.038 . . . . 73.21 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.5 78.59 0.28 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 70.32 111.034 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.93 -94.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.783 . . . . 65.5 111.015 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.474 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.8 OUTLIER 176.09 -70.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 70.12 110.32 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.441 HG23 ' H ' ' A' 2066 ' ' LYS . 3.0 t -176.65 176.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 72.32 110.361 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.422 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.2 OUTLIER -48.6 -26.22 2.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 73.2 109.293 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . 0.441 ' H ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -69.74 -52.36 26.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 62.14 109.353 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.474 ' HG3' ' CB ' ' A' 2063 ' ' GLN . 23.3 mm-40 -72.91 -19.83 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 62.33 110.269 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.8 m -54.09 -34.58 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 54.0 110.427 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -34.98 63.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.066 . . . . 74.45 109.957 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.642 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 4.4 t80 -66.6 -54.24 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 75.32 110.968 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' 2075 ' ' GLY . 5.6 t-20 -56.86 -30.34 63.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 74.54 109.311 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.55 -35.54 63.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 63.22 110.304 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.75 77.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 72.43 109.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.642 ' CE2' ' CE1' ' A' 2070 ' ' PHE . 27.3 m-85 -93.75 -19.94 20.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 72.43 111.028 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -38.42 -40.92 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 40.41 110.983 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -80.92 -55.49 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.383 0.696 . . . . 74.3 110.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.33 -59.5 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 62.21 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.791 HD11 ' HH2' ' A' 2027 ' ' TRP . 10.2 mt -52.19 -37.14 53.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.03 109.346 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -55.92 -48.01 76.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 71.34 111.012 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.52 -54.8 30.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 1.163 . . . . 71.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -58.25 -41.36 84.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 65.41 109.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -34.19 73.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.487 1.117 . . . . 75.52 110.294 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -70.67 -38.14 73.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.33 110.412 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.0 m95 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 75.33 107.957 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 17.2 m -75.06 -58.59 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 62.04 108.215 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.525 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 3.4 ptt85 -66.29 -27.47 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 73.33 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.56 -48.35 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 64.52 109.277 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.531 ' CZ ' HD22 ' A' 2097 ' ' LEU . 6.0 t80 -67.31 -34.59 77.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 61.24 111.018 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.704 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -69.73 -35.91 75.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 65.11 110.918 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -68.04 -58.16 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 71.44 109.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.22 67.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.41 109.97 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -114.76 -141.3 7.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.409 1.068 . . . . 64.22 111.035 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.13 162.92 36.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 65.43 109.236 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.46 -42.31 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 64.33 109.338 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -49.76 -34.13 18.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 73.52 109.283 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' 2095 ' ' LYS . 12.9 m-20 -75.93 -43.72 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 70.2 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' 2097 ' ' LEU . 2.5 tp -60.68 -44.21 96.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.14 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.2 m -64.41 -44.14 92.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 65.35 110.383 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -54.91 -44.39 74.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 75.22 110.338 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' 2104 ' ' TYR . . . -63.84 -43.39 96.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 72.21 109.309 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' A' 2031 ' ' LEU . 1.1 m95 -59.8 -31.62 69.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 61.41 107.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -51.06 48.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 72.3 109.338 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 17.4 mt -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.341 1.026 . . . . 63.14 109.305 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.639 ' CE1' ' HB1' ' A' 2081 ' ' ALA . 3.3 m-85 -57.41 -56.19 25.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.19 . . . . 71.12 110.973 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.549 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.84 -37.01 18.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 73.21 110.923 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -55.54 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.43 1.081 . . . . 70.34 109.612 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' 2104 ' ' TYR . 1.5 m -66.78 -45.92 86.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 62.42 109.339 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.141 ' CG ' HD22 ' A' 2031 ' ' LEU . 11.2 m-85 -63.09 -30.31 71.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 75.12 111.015 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' 2105 ' ' TYR . 3.5 ttt180 -80.04 -29.04 39.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 74.41 110.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -70.75 -52.32 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.602 1.189 . . . . 74.12 110.319 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 5.6 pt -44.09 -34.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 75.21 109.334 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.4 m -84.41 -54.56 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 71.34 110.012 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.36 114.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 73.14 109.215 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.185 . . . . 75.3 110.251 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 11.2 mtm . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.442 0.163 . . . . 70.42 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.0 -24.53 11.17 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.589 1.18 . . . . 72.3 110.224 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 43.73 46.72 6.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.61 1.194 . . . . 74.13 109.346 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 1.6 mm -119.33 140.37 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.607 1.192 . . . . 71.34 109.361 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -161.86 103.64 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 62.41 110.326 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.428 HG23 ' HD2' ' A' 2020 ' ' PRO . 0.2 OUTLIER -124.67 137.61 29.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 54.25 109.292 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.553 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.1 Cg_endo -75.05 -26.87 10.42 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.528 1.804 . . . . 62.52 111.008 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.553 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -111.11 95.36 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.567 1.167 . . . . 70.11 109.268 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.801 HD13 ' H ' ' A' 2023 ' ' TRP . 0.1 OUTLIER 179.91 177.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.397 1.061 . . . . 63.51 109.425 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.801 ' H ' HD13 ' A' 2022 ' ' LEU . 9.7 m0 -50.15 -48.32 53.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.989 -1.115 . . . . 74.44 107.989 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.628 ' NE2' ' CZ ' ' A' 2070 ' ' PHE . 7.4 m80 -48.35 -25.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 64.41 109.647 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' A' 2022 ' ' LEU . 55.6 tt0 -70.62 -33.32 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.053 . . . . 52.31 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.963 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 73.22 110.998 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.784 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.4 m95 -70.92 -51.6 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 73.05 108.063 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' 2032 ' ' GLU . 0.2 OUTLIER -58.79 -58.85 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 71.35 109.65 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.432 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 5.4 pt-20 -59.94 -29.79 68.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 75.31 110.3 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.45 -64.53 4.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 42.51 110.959 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.127 HD22 ' CH2' ' A' 2101 ' ' TRP . 71.6 mt -63.66 -31.9 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 0.721 . . . . 64.21 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 2.3 mm-40 -52.14 -51.55 57.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.383 1.052 . . . . 72.15 110.353 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.49 -49.16 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 73.34 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.558 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -51.98 -48.91 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.607 1.192 . . . . 55.33 109.367 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' 2031 ' ' LEU . 13.0 t -67.66 -41.71 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 71.21 109.992 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -52.42 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 72.13 110.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.54 ' CD1' ' HA3' ' A' 2046 ' ' GLY . 4.2 pp -71.46 -39.82 70.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 74.43 109.242 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' 2037 ' ' LEU . 36.9 t80 -53.39 -55.08 27.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 64.12 110.948 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -74.01 -33.28 63.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 72.22 111.065 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -68.57 -60.58 5.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 64.1 111.063 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -121.84 143.92 49.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.619 0.835 . . . . 64.43 110.372 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 57.5 mmt-85 -71.33 58.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 65.11 110.334 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -130.38 90.72 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.25 109.245 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.79 HG12 ' CE2' ' A' 2048 ' ' PHE . 48.7 t -66.94 -21.16 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 70.2 109.344 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -39.06 56.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.426 1.079 . . . . 60.13 109.247 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.863 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.4 -53.43 35.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 62.4 111.032 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.665 ' HE1' HG13 ' A' 2044 ' ' VAL . 27.5 ttp -61.35 -43.45 98.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 64.2 111.092 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.79 ' CE2' HG12 ' A' 2044 ' ' VAL . 8.1 m-85 -61.89 -42.1 98.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 74.45 110.988 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.57 ' O ' ' CD ' ' A' 2053 ' ' PRO . 12.1 pt-20 -75.87 -13.24 60.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 75.3 110.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' 2046 ' ' GLY . 20.4 t -83.1 -44.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.445 1.091 . . . . 74.15 109.318 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.86 -46.03 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 73.22 109.303 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -34.15 -55.48 0.81 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 70.34 110.297 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.57 ' CD ' ' O ' ' A' 2049 ' ' GLU . 17.7 Cg_endo -75.13 -50.58 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.543 1.812 . . . . 65.42 110.962 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.963 HD22 ' SD ' ' A' 2026 ' ' MET . 14.9 mt -49.19 -56.93 7.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 1.149 . . . . 74.5 109.357 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' 2051 ' ' LEU . 40.5 m170 -59.49 -52.16 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 60.44 109.623 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.15 -48.14 61.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 73.24 109.26 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 73.54 111.011 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.74 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.6 OUTLIER -68.61 -33.5 74.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 53.55 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.4 mm-40 -71.77 -63.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 74.31 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.2 ptt85 -72.81 -16.68 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 74.43 110.235 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' 2057 ' ' MET . . . -119.06 76.11 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.557 1.16 . . . . 44.24 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -74.95 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.467 1.772 . . . . 75.34 111.032 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.453 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 1.7 tt0 -147.56 -70.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 71.33 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' 2066 ' ' LYS . 4.1 t -172.66 170.85 4.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 53.32 110.433 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' 2065 ' ' LEU . 3.1 mm? -55.98 -27.65 53.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 74.04 109.331 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' 2064 ' ' THR . 17.8 mmtt -68.18 -34.75 76.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 75.33 109.333 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.453 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 2.1 tp10 -84.59 -22.49 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 75.35 110.31 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.3 m -54.44 -45.04 72.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 72.01 110.413 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' 2073 ' ' ALA . 0.6 OUTLIER -53.42 -34.8 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 52.44 109.984 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.628 ' CZ ' ' NE2' ' A' 2024 ' ' HIS . 0.9 OUTLIER -74.27 -53.29 10.03 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 74.35 110.98 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' 2075 ' ' GLY . 14.1 t30 -60.83 -32.89 72.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 60.24 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' 2069 ' ' SER . 3.1 pt20 -79.93 -39.8 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.497 1.123 . . . . 74.41 110.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -50.35 -28.41 7.92 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 1.121 . . . . 72.44 109.316 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.816 ' HD1' HG22 ' A' 2107 ' ' VAL . 52.3 m-85 -116.17 -22.99 8.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 63.35 111.043 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -35.43 -33.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.593 1.183 . . . . 61.54 111.123 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.4 tpt180 -80.12 -51.25 9.23 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.527 0.781 . . . . 71.3 110.363 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.2 m-20 -57.64 -50.99 71.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 44.14 109.341 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.784 HD11 ' HH2' ' A' 2027 ' ' TRP . 36.1 mt -52.6 -33.75 47.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 75.53 109.418 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -48.58 63.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 64.21 111.007 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 10.8 tt0 -60.24 -57.93 10.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 64.34 110.317 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -53.06 -42.12 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.58 1.175 . . . . 75.33 109.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -41.01 79.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.414 1.071 . . . . 52.42 110.287 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.535 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -63.13 -38.26 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 72.32 110.394 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.836 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 95.2 m95 -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 75.45 107.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 70.8 m -74.62 -59.54 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 61.31 108.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 7.5 ptt180 -62.83 -33.63 75.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 73.33 110.291 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -66.71 -42.22 86.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 61.11 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.63 ' CZ ' HD12 ' A' 2097 ' ' LEU . 0.8 OUTLIER -71.86 -39.44 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 65.15 111.025 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.656 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 2.5 mtt -60.52 -41.82 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.48 1.112 . . . . 74.12 111.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -48.8 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.2 109.314 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 6.7 t -72.66 -70.8 0.33 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 53.33 109.972 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.78 92.85 2.23 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.574 1.171 . . . . 35.24 110.972 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -163.89 108.14 1.0 Allowed 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.551 0.795 . . . . 75.52 109.271 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.3 t -46.87 -39.38 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 51.2 109.329 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.7 tttp -49.11 -47.01 45.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 71.51 109.302 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.71 -32.1 72.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 70.1 109.357 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.743 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -69.55 -47.62 63.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 71.3 109.337 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.4 m -59.74 -39.23 84.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 73.01 110.39 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.73 -46.7 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 52.24 110.204 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.836 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -64.17 -43.03 96.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 73.41 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 1.127 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -61.05 -34.95 75.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 61.15 108.017 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -47.7 78.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 54.45 109.396 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 3.9 mp -56.45 -53.61 55.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 73.34 109.255 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -57.32 -49.83 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 62.11 111.008 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.53 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -48.24 -48.83 34.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 73.43 110.987 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.41 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.31 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.816 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.8 t -64.26 -57.78 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 74.03 109.266 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.752 ' CE2' ' HG ' ' A' 2031 ' ' LEU . 22.6 m-85 -64.17 -27.76 69.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.362 1.039 . . . . 73.34 111.017 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' 2105 ' ' TYR . 8.7 ttt180 -74.11 -32.04 63.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 70.14 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -51.71 24.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 73.54 110.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.557 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.2 pt -45.36 -31.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.44 109.328 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 12.7 p -86.41 -52.01 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 75.11 109.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 135.23 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 71.43 109.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 74.24 110.315 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.411 0.148 . . . . 70.52 110.948 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' 2016 ' ' LEU . 21.7 mm-40 -114.88 -14.06 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 55.23 110.368 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.566 HD23 HD12 ' A' 2017 ' ' ILE . 0.1 OUTLIER 80.88 121.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 71.55 109.303 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.588 HG22 ' N ' ' A' 2018 ' ' ARG . 1.4 mt 66.39 -77.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 71.32 109.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.588 ' N ' HG22 ' A' 2017 ' ' ILE . 0.8 OUTLIER -43.86 110.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 64.24 110.343 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.64 HG11 HD23 ' A' 2022 ' ' LEU . 53.8 t -40.15 136.94 1.29 Allowed Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.495 1.122 . . . . 63.52 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.2 Cg_endo -75.06 -39.27 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.476 1.777 . . . . 64.43 110.936 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 7.6 mt -97.42 60.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 72.25 109.453 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.64 HD23 HG11 ' A' 2019 ' ' VAL . 0.1 OUTLIER -145.7 150.4 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 75.15 109.311 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.544 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.9 m0 -62.99 -51.82 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.035 -1.098 . . . . 71.32 108.035 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.418 ' ND1' HD12 ' A' 2022 ' ' LEU . 1.6 m80 -46.01 -22.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 72.04 109.489 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.2 OUTLIER -69.81 -40.3 76.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 75.21 110.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -71.74 -33.55 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 73.41 111.023 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.813 ' HH2' HD11 ' A' 2078 ' ' LEU . 67.0 m95 -67.13 -49.18 65.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.91 -1.144 . . . . 74.25 107.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 t60 -64.21 -47.55 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 71.25 109.741 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' 2025 ' ' GLU . 2.0 tt0 -65.91 -38.75 89.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 71.33 110.351 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -56.65 -63.2 5.53 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.518 1.136 . . . . 75.52 110.994 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 0.988 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.2 mt -59.27 -32.32 69.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 0.716 . . . . 75.33 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' 2036 ' ' ARG . 2.1 mm-40 -53.5 -52.61 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 75.34 110.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -79.52 -49.7 11.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 51.13 110.284 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.801 ' HB2' HG11 ' A' 2050 ' ' VAL . . . -52.21 -49.96 62.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 64.13 109.208 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.3 p -68.28 -43.98 76.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 70.14 109.9 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' 2032 ' ' GLU . 1.5 mtp85 -53.72 -52.08 61.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 63.23 110.289 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' 2041 ' ' GLU . 4.3 pp -69.29 -40.8 77.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 71.11 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.436 ' N ' HD12 ' A' 2037 ' ' LEU . 61.8 t80 -53.76 -55.28 27.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.113 . . . . 74.33 110.984 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -75.24 -40.61 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 72.41 110.922 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -65.74 -25.15 71.64 Favored Glycine 0 CA--C 1.528 0.855 0 O-C-N 124.578 1.174 . . . . 62.34 111.033 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' 2037 ' ' LEU . 8.9 tp10 -155.55 140.43 17.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.433 0.725 . . . . 74.04 110.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -73.01 57.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 74.34 110.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -125.32 71.7 1.22 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.525 1.141 . . . . 72.34 109.298 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.726 HG12 ' CE2' ' A' 2048 ' ' PHE . 37.5 t -54.29 -24.98 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 73.04 109.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -51.46 -43.21 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 72.44 109.312 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.43 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -53.44 -54.15 31.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.606 1.191 . . . . 42.34 111.023 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.976 ' O ' HD22 ' A' 2051 ' ' LEU . 8.6 tmm? -54.16 -47.61 71.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 0.719 . . . . 74.25 111.05 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.726 ' CE2' HG12 ' A' 2044 ' ' VAL . 10.1 m-85 -63.46 -34.4 77.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 75.22 111.05 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 3.3 mm-40 -75.77 -15.98 60.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 64.34 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.847 HG12 HD13 ' A' 2051 ' ' LEU . 0.6 OUTLIER -84.08 -42.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 71.03 109.397 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.976 HD22 ' O ' ' A' 2047 ' ' MET . 0.4 OUTLIER -77.18 -46.87 21.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.43 109.351 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -33.92 -54.43 0.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 71.53 110.336 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.583 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 73.32 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.819 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.52 -55.99 11.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 74.44 109.343 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' 2051 ' ' LEU . 44.2 m170 -57.56 -53.08 62.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 63.33 109.5 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -52.18 -50.47 61.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.423 1.077 . . . . 74.04 109.253 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.99 -36.2 37.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 73.24 111.052 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.544 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -71.1 -33.77 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 70.11 110.984 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' 2055 ' ' HIS . 6.0 mm-40 -72.84 -63.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.406 1.066 . . . . 73.22 110.221 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -72.66 -24.34 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 75.22 110.297 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.29 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 64.42 110.928 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.439 1.757 . . . . 62.01 110.963 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.04 -70.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 75.33 110.237 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 3.2 t -170.51 174.31 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 62.1 110.504 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -28.97 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 73.12 109.311 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -69.69 -34.79 74.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 54.05 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.15 -18.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 1.055 . . . . 63.13 110.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 30.3 m -54.59 -33.26 60.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 62.34 110.338 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -35.93 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.43 109.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.606 ' HE2' HG22 ' A' 2111 ' ' ILE . 18.1 t80 -63.81 -52.98 57.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.52 111.01 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 2.3 t-20 -64.24 -28.79 69.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 63.13 109.402 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -77.41 -54.6 6.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 73.41 110.312 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.2 -52.81 4.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.24 109.379 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.6 m-85 -90.68 -14.99 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.593 1.183 . . . . 74.15 110.999 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.38 -44.33 2.26 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.526 1.141 . . . . 43.12 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -49.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.62 0.835 . . . . 52.23 110.341 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.54 -55.68 17.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 43.43 109.324 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.813 HD11 ' HH2' ' A' 2027 ' ' TRP . 13.8 mt -52.71 -37.82 59.73 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 75.53 109.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -46.61 89.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.15 110.917 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.505 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 21.5 tt0 -62.28 -54.28 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.42 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.46 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.93 -40.65 66.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 64.1 109.352 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.8 OUTLIER -60.55 -39.49 88.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 64.12 110.256 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.504 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 74.53 110.226 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.45 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.4 m95 -75.58 -23.92 56.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 71.22 107.992 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.434 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 42.7 t -66.64 -58.54 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 75.54 108.225 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.504 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.1 OUTLIER -62.52 -28.98 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.01 110.278 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.494 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -60.62 -50.5 73.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 75.34 109.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.486 ' O ' ' N ' ' A' 2092 ' ' GLY . 0.6 OUTLIER -70.91 -46.77 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.3 110.964 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.412 ' N ' ' CD1' ' A' 2088 ' ' TYR . 3.0 mtt -56.9 -32.29 65.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 62.12 111.008 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.9 tptm -92.01 -56.83 2.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 74.31 109.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' 2087 ' ' LYS . 4.7 t -70.2 -64.42 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 65.2 109.96 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 103.31 81.4 1.53 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.48 1.113 . . . . 74.21 111.094 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.37 120.35 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 74.01 109.325 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -56.82 -29.78 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 72.24 109.417 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.47 -49.04 78.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 63.4 109.305 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -39.85 80.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 53.23 109.338 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' 2097 ' ' LEU . 0.2 OUTLIER -63.27 -48.39 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 65.44 109.37 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -58.25 -41.73 84.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 73.24 110.327 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' 2103 ' ' LEU . 0.0 OUTLIER -58.51 -50.66 72.95 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 65.4 110.2 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.29 -47.59 78.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 73.44 109.376 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.653 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.92 -38.1 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 64.44 108.057 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -51.11 71.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 73.24 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' 2107 ' ' VAL . 6.5 mp -54.14 -54.21 42.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 65.34 109.357 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.429 ' O ' HG22 ' A' 2107 ' ' VAL . 14.8 m-85 -54.03 -55.68 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 73.12 111.094 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.97 -36.49 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 72.43 111.027 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . 0.5 ' O ' ' HG2' ' A' 2109 ' ' ARG . 47.9 t-80 -63.47 -45.59 90.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 71.13 109.635 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.584 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 0.8 OUTLIER -77.21 -35.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 73.33 109.31 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.988 ' CG ' HD11 ' A' 2031 ' ' LEU . 10.1 m-85 -72.1 -31.7 66.29 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.536 1.148 . . . . 73.32 111.001 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' 2106 ' ' HIS . 6.9 ptp180 -79.43 -31.17 42.54 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.585 1.178 . . . . 64.13 110.273 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' 2109 ' ' ARG . 24.7 tpt180 -70.29 -50.41 39.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 71.54 110.246 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.606 HG22 ' HE2' ' A' 2070 ' ' PHE . 11.8 pt -43.24 -30.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 72.11 109.261 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 22.7 t -91.98 -56.81 2.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 71.23 109.978 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 1.2 tptp -42.01 138.92 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 60.41 109.279 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 65.14 110.241 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.54 0.209 . . . . 74.25 110.959 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.36 -2.98 15.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 41.23 110.348 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' 2016 ' ' LEU . 0.2 OUTLIER 57.85 -114.4 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 74.42 109.329 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.605 HG23 ' N ' ' A' 2018 ' ' ARG . 0.4 OUTLIER -48.07 174.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 71.21 109.306 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.605 ' N ' HG23 ' A' 2017 ' ' ILE . 2.2 mmt-85 -136.92 98.98 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 75.31 110.234 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.578 HG23 ' HD2' ' A' 2020 ' ' PRO . 2.4 p -43.12 139.73 2.2 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.516 1.135 . . . . 73.04 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.578 ' HD2' HG23 ' A' 2019 ' ' VAL . 18.5 Cg_endo -74.99 -82.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.364 1.718 . . . . 75.12 110.93 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' 2021 ' ' ILE . 1.6 pp -49.14 91.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 70.41 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' 2020 ' ' PRO . 0.2 OUTLIER -162.73 -159.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.5 109.309 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.563 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.6 m0 -70.28 -50.83 35.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.979 -1.119 . . . . 60.01 107.979 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.18 -22.92 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.25 109.555 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' 2023 ' ' TRP . 0.4 OUTLIER -70.11 -36.37 74.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 74.2 110.27 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.511 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -75.73 -32.92 60.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 72.34 110.978 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.847 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.8 m95 -68.01 -44.01 77.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 70.32 108.019 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -65.07 -59.3 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 71.4 109.616 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.5 OUTLIER -61.02 -35.95 78.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.22 110.258 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' 2026 ' ' MET . . . -55.44 -62.64 6.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 51.22 110.993 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 0.977 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.9 mt -58.72 -30.95 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 71.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.01 -49.24 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 53.45 110.29 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.716 ' O ' HD12 ' A' 2037 ' ' LEU . 1.1 tt0 -79.1 -45.0 20.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 63.34 110.237 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.741 ' HB1' ' CG ' ' A' 2047 ' ' MET . . . -58.14 -47.09 84.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 55.22 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.5 p -65.94 -39.94 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 75.5 109.982 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' 2040 ' ' GLY . 6.7 mtt-85 -56.87 -41.69 78.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 64.5 110.195 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' 2033 ' ' GLU . 1.1 mt -71.73 -35.01 70.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 75.23 109.26 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.89 -56.13 5.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.627 1.204 . . . . 72.23 110.993 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -74.19 -46.27 43.06 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.47 1.106 . . . . 72.51 110.949 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -63.72 -59.64 8.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.146 . . . . 34.21 110.954 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' 2037 ' ' LEU . 5.9 mm-40 -116.71 -170.42 1.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 0.801 . . . . 60.05 110.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.48 22.83 12.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 74.23 110.339 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 8.5 m120 -96.37 79.33 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 64.42 109.36 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.648 HG12 ' CE2' ' A' 2048 ' ' PHE . 38.2 t -57.14 -21.7 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 73.25 109.332 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -40.24 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 72.12 109.343 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.673 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.81 -56.03 22.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.465 1.103 . . . . 53.32 111.048 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.741 ' CG ' ' HB1' ' A' 2034 ' ' ALA . 8.8 tmm? -55.99 -43.16 77.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 0.803 . . . . 74.51 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.648 ' CE2' HG12 ' A' 2044 ' ' VAL . 7.2 m-85 -62.78 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 73.32 111.072 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.576 ' O ' ' CD ' ' A' 2053 ' ' PRO . 15.8 mt-10 -75.74 -13.43 60.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 65.53 110.291 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' 2046 ' ' GLY . 25.6 t -82.55 -46.85 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 63.04 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.652 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.82 -44.76 31.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 74.33 109.193 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.3 OUTLIER -34.08 -56.15 0.75 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 73.12 110.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.576 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.3 Cg_endo -74.99 -52.02 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.53 1.805 . . . . 75.11 110.974 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -49.12 -57.37 6.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.167 . . . . 75.14 109.386 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' 2051 ' ' LEU . 9.1 m170 -60.05 -52.66 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 63.44 109.627 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' 2052 ' ' GLU . . . -49.43 -50.72 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 71.02 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.79 -38.76 56.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 64.42 111.001 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.563 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.0 OUTLIER -66.52 -37.22 84.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 63.25 110.901 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.2 mm-40 -69.85 -64.02 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 64.21 110.244 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.7 OUTLIER -65.49 -35.0 79.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.41 110.334 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' 2057 ' ' MET . . . -124.08 81.1 0.35 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.572 1.17 . . . . 63.12 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.451 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.2 Cg_endo -74.99 -93.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 73.53 110.969 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.443 ' CB ' ' HB2' ' A' 2067 ' ' GLU . 0.2 OUTLIER 176.77 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 71.24 110.412 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.684 HG23 ' H ' ' A' 2066 ' ' LYS . 6.1 t -167.17 -171.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 62.14 110.315 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.465 ' N ' ' OG1' ' A' 2064 ' ' THR . 0.0 OUTLIER -61.1 -26.92 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 64.44 109.298 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . 0.684 ' H ' HG23 ' A' 2064 ' ' THR . 13.0 tttt -68.98 -49.61 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 71.55 109.292 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' 2063 ' ' GLN . 2.4 mm-40 -75.43 -20.04 59.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.44 110.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.2 m -53.51 -27.34 25.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.01 110.346 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -40.58 61.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 63.42 110.063 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.581 ' HE2' HG22 ' A' 2111 ' ' ILE . 27.6 t80 -63.49 -51.25 66.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 54.13 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.513 ' O ' ' CA ' ' A' 2075 ' ' GLY . 34.8 t30 -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.516 1.135 . . . . 63.44 109.231 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -78.18 -52.89 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 51.41 110.332 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.63 5.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.478 1.111 . . . . 73.24 109.366 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.579 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.1 m-85 -95.09 -15.07 23.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.371 1.044 . . . . 74.12 111.112 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -38.51 -40.86 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.569 1.168 . . . . 64.34 111.02 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -51.75 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 74.12 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.99 -56.9 10.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 73.2 109.337 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.847 HD11 ' HH2' ' A' 2027 ' ' TRP . 15.1 mt -52.4 -40.19 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.4 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 13.5 ttm -56.22 -46.46 79.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.127 . . . . 63.1 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 12.6 tt0 -62.71 -56.06 21.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.362 1.039 . . . . 70.52 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.646 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -52.93 -42.37 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 74.34 109.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.51 -42.48 82.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 63.15 110.178 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -40.84 94.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 62.33 110.208 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.794 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.3 m95 -68.53 -33.52 74.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.991 -1.115 . . . . 74.24 107.991 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 67.6 m -65.08 -55.55 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 74.33 108.312 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -54.67 -36.88 65.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.178 . . . . 72.41 110.359 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.62 99.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 75.12 109.286 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 74.7 t80 -70.51 -48.06 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 61.24 110.966 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.422 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 0.0 OUTLIER -57.91 -36.4 72.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 54.45 110.917 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -58.81 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 54.42 109.334 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.66 57.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 64.31 109.967 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -97.64 -151.28 27.39 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.557 1.161 . . . . 73.4 111.094 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.02 168.64 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 75.41 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -40.44 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 72.51 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.86 -48.63 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 65.54 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -41.23 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.22 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' 2088 ' ' TYR . 8.0 tp -56.83 -42.98 80.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 74.41 109.281 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.3 m -64.79 -45.37 86.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 62.32 110.472 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.536 ' OE1' ' CE2' ' A' 2084 ' ' TRP . 0.0 OUTLIER -51.28 -52.75 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.431 1.082 . . . . 64.25 110.259 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.794 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.7 -48.63 79.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 70.41 109.346 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.602 ' CZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -57.77 -41.68 82.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.34 108.015 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -51.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.075 . . . . 74.25 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.596 ' O ' HG13 ' A' 2107 ' ' VAL . 5.3 mp -56.84 -52.9 63.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.42 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.646 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 3.5 m-30 -54.23 -56.05 22.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 75.14 111.01 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.91 -38.14 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.52 110.974 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . 0.465 ' O ' ' HG3' ' A' 2109 ' ' ARG . 1.8 m170 -61.66 -45.84 92.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 74.4 109.662 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -75.86 -35.15 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 74.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.977 ' CG ' HD11 ' A' 2031 ' ' LEU . 8.9 m-85 -73.04 -31.88 64.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 74.45 111.012 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -79.78 -25.63 40.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 73.43 110.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . 0.496 ' N ' ' HG3' ' A' 2109 ' ' ARG . 2.1 mmm180 -75.44 -50.25 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 72.32 110.306 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.581 HG22 ' HE2' ' A' 2070 ' ' PHE . 7.9 pt -42.09 -37.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 61.55 109.276 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 66.4 p -81.85 -45.86 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 63.03 109.961 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 139.5 41.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 71.54 109.244 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 71.1 110.27 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.557 0.218 . . . . 63.01 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -108.95 -14.2 14.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 72.21 110.264 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 74.04 13.99 3.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 63.4 109.359 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' 2018 ' ' ARG . 15.8 mm -111.1 -81.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.53 1.144 . . . . 71.33 109.358 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.457 ' N ' HG22 ' A' 2017 ' ' ILE . 0.2 OUTLIER -47.52 146.26 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.43 110.289 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.634 HG13 ' HG ' ' A' 2022 ' ' LEU . 0.2 OUTLIER -38.9 137.67 0.87 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 75.43 109.254 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' 2019 ' ' VAL . 18.6 Cg_endo -74.98 -24.87 12.44 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.448 1.762 . . . . 71.14 111.03 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.482 ' C ' HD12 ' A' 2022 ' ' LEU . 22.8 mm -102.95 98.47 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 71.41 109.318 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.764 HD22 ' H ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -175.8 159.09 2.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 1.163 . . . . 74.32 109.328 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.727 ' HB3' ' HE1' ' A' 2058 ' ' MET . 17.0 m0 -81.15 -39.72 25.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.955 -1.128 . . . . 62.3 107.955 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.594 ' HB2' HD23 ' A' 2022 ' ' LEU . 3.3 m80 -44.57 -23.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 75.11 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.764 ' H ' HD22 ' A' 2022 ' ' LEU . 0.9 OUTLIER -68.07 -40.93 82.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 70.55 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.927 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -71.64 -31.28 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 71.42 110.998 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.758 ' HH2' HD11 ' A' 2078 ' ' LEU . 78.2 m95 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 74.11 107.998 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.4 OUTLIER -56.88 -59.06 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 72.44 109.625 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.47 ' N ' ' CD2' ' A' 2028 ' ' HIS . 4.8 pt-20 -63.64 -40.43 96.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 74.3 110.303 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.5 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -56.12 -63.61 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 72.23 110.956 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.122 HD22 ' CG ' ' A' 2108 ' ' PHE . 5.1 tp -57.7 -32.16 67.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.545 0.791 . . . . 72.55 109.243 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.72 -53.26 57.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 71.03 110.279 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.73 48.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 64.03 110.343 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.81 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.06 -49.27 69.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.143 . . . . 42.02 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.446 ' HG ' ' HH2' ' A' 2101 ' ' TRP . 7.6 m -56.56 -45.97 80.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 64.45 109.864 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -59.44 -34.29 72.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 60.22 110.317 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' 2034 ' ' ALA . 3.0 mt -70.33 -34.04 72.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.591 1.182 . . . . 71.41 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 81.5 t80 -82.98 -54.49 5.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 65.13 110.978 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -73.39 -46.89 46.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 73.03 111.041 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -66.91 -58.4 8.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.539 1.149 . . . . 71.22 111.032 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -114.35 -173.35 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 71.34 110.289 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -116.23 28.44 8.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 75.22 110.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -96.24 90.25 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.43 109.328 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.724 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 4.3 t -65.71 -10.55 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 64.32 109.402 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.47 -40.24 67.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 61.25 109.277 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.833 ' O ' HG23 ' A' 2050 ' ' VAL . . . -57.55 -56.56 24.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.445 1.091 . . . . 65.41 110.977 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' 2044 ' ' VAL . 0.5 OUTLIER -56.85 -46.93 81.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 72.04 110.948 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.724 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.7 m-85 -68.19 -37.1 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 71.41 110.997 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.56 ' O ' ' CD ' ' A' 2053 ' ' PRO . 5.5 mm-40 -75.45 -13.68 60.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 75.12 110.285 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' 2046 ' ' GLY . 21.6 t -84.56 -44.06 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 74.32 109.244 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.49 -46.38 26.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 73.1 109.332 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 2.2 mt-10 -34.93 -55.45 0.95 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.4 110.32 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.569 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.98 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.481 1.779 . . . . 74.21 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.927 HD22 ' SD ' ' A' 2026 ' ' MET . 16.8 mt -48.39 -56.7 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 61.43 109.247 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.572 ' CE1' HD22 ' A' 2078 ' ' LEU . 36.3 m170 -59.18 -52.31 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.21 109.565 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -51.27 -47.21 62.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 62.51 109.27 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.517 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.7 -38.72 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 65.43 111.057 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.768 ' HE3' ' HG2' ' A' 2026 ' ' MET . 0.4 OUTLIER -70.41 -33.08 70.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.19 . . . . 64.22 110.996 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' 2059 ' ' GLU . 1.1 mm-40 -71.67 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 75.42 110.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -22.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 72.13 110.349 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.1 87.33 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 73.44 111.039 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 62.43 111.133 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' 2064 ' ' THR . 1.3 tp60 -145.71 -72.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 74.2 110.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.49 HG23 ' O ' ' A' 2063 ' ' GLN . 21.0 p -156.08 161.06 40.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 63.2 110.384 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -27.32 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.626 1.204 . . . . 61.11 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -50.95 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.156 . . . . 70.32 109.265 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.53 -23.53 63.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 64.14 110.239 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 1.7 m -55.35 -41.58 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.633 1.208 . . . . 73.1 110.351 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 2.4 m -64.74 -50.59 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 72.21 110.063 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' 2070 ' ' PHE . 0.5 OUTLIER -58.8 -43.32 90.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 71.15 110.975 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2075 ' ' GLY . 41.7 t30 -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 74.11 109.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -78.1 -54.94 5.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 74.41 110.291 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -50.36 -33.17 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 73.43 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.823 ' CD2' HG13 ' A' 2107 ' ' VAL . 2.5 m-30 -96.48 -24.22 16.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 70.44 110.979 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.34 -42.99 5.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 51.24 110.925 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -45.92 59.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 0.766 . . . . 73.11 110.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.54 -51.1 68.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 74.31 109.363 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.758 HD11 ' HH2' ' A' 2027 ' ' TRP . 24.5 mt -57.54 -33.45 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 61.35 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.7 mtp -67.48 -44.73 77.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.545 1.153 . . . . 73.41 111.0 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.499 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 17.9 tt0 -60.16 -58.55 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 72.13 110.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.579 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -53.59 -41.1 66.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 61.11 109.313 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -57.8 -39.65 78.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 73.23 110.331 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.535 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -66.13 -36.57 83.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 55.5 110.331 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.735 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.8 m95 -73.09 -23.76 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 71.41 107.944 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 4.8 t -72.03 -58.56 3.34 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.57 1.169 . . . . 74.34 108.209 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 2.2 ptm180 -67.08 -27.83 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 72.51 110.275 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -71.81 -37.17 70.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 73.21 109.239 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.516 ' CE2' HD22 ' A' 2097 ' ' LEU . 10.1 t80 -79.41 -45.0 20.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 74.14 110.98 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.0 mtt -61.59 -38.2 86.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 74.11 111.034 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.466 ' HD2' ' O ' ' A' 2090 ' ' LYS . 11.5 tptm -64.92 -58.99 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 71.23 109.235 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.22 78.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.138 . . . . 71.03 109.965 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -133.06 -141.8 4.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 62.11 110.999 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -149.23 157.95 43.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 45.01 109.307 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -35.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 62.4 109.204 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -49.01 -48.1 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 62.54 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -67.02 -39.01 86.96 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.435 1.084 . . . . 65.21 109.343 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' 2097 ' ' LEU . 4.2 tp -62.73 -46.66 87.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 72.34 109.226 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.4 m -59.32 -42.66 91.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 61.1 110.424 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.404 ' O ' HD12 ' A' 2103 ' ' LEU . 1.5 tt0 -57.1 -49.91 74.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 74.4 110.272 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.735 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.26 -43.52 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 72.21 109.37 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.57 ' CH2' HD11 ' A' 2031 ' ' LEU . 1.0 OUTLIER -62.77 -33.06 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.23 107.998 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -50.61 70.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.603 1.189 . . . . 43.44 109.26 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 7.4 mp -54.87 -53.11 59.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 73.43 109.369 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' 2081 ' ' ALA . 18.1 m-85 -57.15 -46.77 82.45 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.433 1.083 . . . . 73.03 110.936 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.43 -48.37 47.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 75.33 111.04 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' 2110 ' ' ARG . 37.3 m170 -62.64 -37.88 88.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 72.45 109.595 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' 2074 ' ' TYR . 2.1 t -69.59 -56.65 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 35.45 109.211 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.122 ' CG ' HD22 ' A' 2031 ' ' LEU . 30.9 m-85 -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.42 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' 2105 ' ' TYR . 7.6 ttt180 -76.49 -30.62 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 74.42 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . 0.428 ' CB ' ' OH ' ' A' 2074 ' ' TYR . 10.2 mmt-85 -72.59 -51.43 19.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 72.24 110.341 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.512 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 15.5 pt -42.92 -31.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 75.21 109.277 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 3.1 m -85.3 -53.96 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 53.22 109.998 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.97 127.21 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 61.51 109.358 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 9.5 tp60 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.375 1.047 . . . . 62.31 110.382 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 19.0 ptt? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.495 0.188 . . . . 73.52 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -12.55 36.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.41 110.251 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' 2017 ' ' ILE . 0.1 OUTLIER 80.03 -153.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 71.54 109.161 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.478 ' H ' HD23 ' A' 2016 ' ' LEU . 0.0 OUTLIER -38.65 153.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 73.24 109.325 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' 2018 ' ' ARG . 0.8 OUTLIER -110.08 -162.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 71.41 110.293 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.73 ' HB ' HD13 ' A' 2022 ' ' LEU . 2.3 t -138.67 127.89 14.39 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.436 1.085 . . . . 72.41 109.423 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -26.83 10.44 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.442 1.759 . . . . 64.13 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.459 ' O ' ' CG1' ' A' 2019 ' ' VAL . 1.7 pp -110.87 102.2 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 75.22 109.365 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.73 HD13 ' HB ' ' A' 2019 ' ' VAL . 0.2 OUTLIER -171.01 -160.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.447 1.092 . . . . 62.31 109.299 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.511 ' O ' ' N ' ' A' 2026 ' ' MET . 8.7 m0 -66.53 -51.44 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 73.3 107.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.7 m170 -46.45 -25.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 63.34 109.551 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.3 tm-20 -69.42 -32.53 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 63.51 110.378 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.862 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -76.02 -31.51 58.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 73.53 111.028 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.683 ' CH2' HD21 ' A' 2078 ' ' LEU . 61.6 m95 -69.98 -50.52 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 72.3 108.028 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.6 OUTLIER -60.85 -59.17 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 65.24 109.615 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.451 ' N ' ' CD2' ' A' 2028 ' ' HIS . 0.0 OUTLIER -63.24 -33.79 76.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 71.33 110.257 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.47 -64.18 4.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.133 . . . . 70.31 111.01 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.122 HD22 ' CG ' ' A' 2108 ' ' PHE . 1.8 tp -61.55 -32.4 72.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 62.44 109.343 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.12 -48.35 73.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 62.04 110.258 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.11 -49.15 25.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.401 1.063 . . . . 71.12 110.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -56.64 -37.24 70.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 62.44 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' 2031 ' ' LEU . 17.6 t -75.91 -52.94 9.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.168 . . . . 71.54 110.01 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.2 -44.3 53.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 74.45 110.216 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.995 HD12 ' N ' ' A' 2038 ' ' TYR . 3.3 pp -70.43 -48.08 57.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 71.24 109.317 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.995 ' N ' HD12 ' A' 2037 ' ' LEU . 42.9 t80 -53.93 -46.25 71.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 71.14 110.999 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -77.03 -47.3 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 75.33 110.926 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -84.05 -73.13 1.27 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.467 1.105 . . . . 73.24 110.964 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' 2037 ' ' LEU . 29.7 tp10 -47.44 -25.62 1.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.569 0.805 . . . . 74.44 110.21 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' 2037 ' ' LEU . 0.0 OUTLIER 60.71 18.58 8.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 74.25 110.351 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.491 ' O ' HD13 ' A' 2037 ' ' LEU . 1.9 m-20 -116.2 118.28 32.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 71.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.755 HG12 ' CE2' ' A' 2048 ' ' PHE . 48.7 t -73.88 -26.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 62.33 109.407 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.422 ' HE2' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.87 -36.26 37.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.091 . . . . 54.12 109.385 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.601 ' O ' HG23 ' A' 2050 ' ' VAL . . . -62.11 -53.24 44.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.54 1.15 . . . . 75.3 110.963 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.653 ' CE ' HG13 ' A' 2044 ' ' VAL . 8.4 tmm? -52.58 -43.32 65.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 0.814 . . . . 44.05 110.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.755 ' CE2' HG12 ' A' 2044 ' ' VAL . 14.2 m-85 -68.03 -37.66 81.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 62.31 110.989 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 28.2 mt-10 -75.89 -13.73 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 71.01 110.203 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' 2046 ' ' GLY . 24.4 t -84.82 -44.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.107 . . . . 71.32 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.2 -45.43 33.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 75.12 109.363 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.8 -55.99 1.16 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 73.24 110.31 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.557 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -74.96 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 61.22 111.041 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.862 HD22 ' SD ' ' A' 2026 ' ' MET . 20.9 mt -49.41 -55.31 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 71.44 109.254 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.846 ' CE1' HD23 ' A' 2078 ' ' LEU . 3.3 m170 -58.43 -53.37 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 71.21 109.661 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.29 -50.19 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 53.53 109.232 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.11 -39.52 43.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 74.33 110.971 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.761 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.0 OUTLIER -69.14 -31.7 70.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.502 1.126 . . . . 74.45 110.85 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.1 mm-40 -76.43 -63.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 62.54 110.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' 2056 ' ' ALA . 30.8 ptt180 -71.52 -18.19 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.12 110.359 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -118.38 77.25 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.558 1.161 . . . . 53.13 110.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.1 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.6 1.842 . . . . 63.42 110.94 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' 2064 ' ' THR . 4.7 tp60 -148.94 -76.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 72.35 110.363 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.554 HG23 ' O ' ' A' 2063 ' ' GLN . 23.8 p -158.61 177.43 11.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.157 . . . . 55.32 110.362 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -64.35 -27.23 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 53.14 109.412 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 18.0 mttt -67.33 -39.71 85.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 60.54 109.266 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -77.24 -26.04 52.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.22 110.248 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.9 m -54.79 -28.51 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 54.35 110.453 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -37.56 63.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 71.34 110.037 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.51 ' HE1' HG22 ' A' 2111 ' ' ILE . 62.6 t80 -63.42 -51.63 64.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 70.54 110.985 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' 2075 ' ' GLY . 22.5 t-20 -63.74 -29.92 71.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 74.11 109.377 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.27 -45.93 21.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 72.34 110.34 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.98 -46.22 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 35.15 109.323 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.71 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 39.1 m-85 -99.49 -17.75 17.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 74.33 110.956 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -39.13 -28.65 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 71.51 110.995 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' 2074 ' ' TYR . 19.0 tpt180 -79.02 -46.79 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 65.22 110.345 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.555 ' HB2' HG11 ' A' 2107 ' ' VAL . 6.7 m-20 -61.37 -57.05 13.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 64.15 109.364 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.846 HD23 ' CE1' ' A' 2055 ' ' HIS . 8.0 mp -51.37 -46.0 62.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 62.32 109.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.1 ttm -50.49 -49.38 55.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 74.13 110.971 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.487 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 30.4 tt0 -71.1 -48.3 53.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 73.12 110.26 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.47 -44.36 68.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 72.24 109.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.63 -38.49 90.46 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.482 1.114 . . . . 71.12 110.312 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.524 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -60.69 -37.29 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 63.13 110.271 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.731 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.7 m95 -75.84 -25.78 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.933 -1.136 . . . . 74.13 107.933 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 71.6 m -69.48 -59.0 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 60.31 108.25 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.524 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 1.1 ptm180 -65.05 -28.63 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 73.11 110.234 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.468 ' N ' ' HG2' ' A' 2086 ' ' ARG . 0.0 OUTLIER -70.66 -33.6 71.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.599 1.187 . . . . 64.41 109.332 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.424 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 9.9 t80 -77.16 -45.2 27.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 73.23 111.026 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.586 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 3.0 mtt -60.31 -40.44 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 53.53 111.055 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -57.53 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 73.35 109.265 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.16 77.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 52.02 109.995 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -124.64 -148.86 7.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.383 1.052 . . . . 64.3 110.939 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -141.96 -178.06 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 72.35 109.326 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -40.81 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 53.02 109.322 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 -48.42 49.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 75.44 109.329 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -42.8 88.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 72.31 109.319 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' 2097 ' ' LEU . 1.6 tp -59.07 -46.9 87.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 41.22 109.287 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -58.75 -42.16 88.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 74.54 110.471 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.452 ' O ' HD12 ' A' 2103 ' ' LEU . 0.8 OUTLIER -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 54.34 110.366 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.731 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.74 -49.4 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 71.14 109.246 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.503 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 0.2 OUTLIER -56.67 -31.2 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 74.12 107.935 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -48.99 68.9 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.627 1.205 . . . . 62.43 109.38 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.5 mp -53.45 -52.75 58.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 74.31 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.522 ' O ' HG22 ' A' 2107 ' ' VAL . 11.0 m-85 -56.84 -57.35 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.11 111.005 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.3 t80 -49.67 -27.94 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 73.25 111.053 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -70.71 -55.67 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 72.23 109.559 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.71 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.5 m -64.13 -43.79 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 72.41 109.261 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.122 ' CG ' HD22 ' A' 2031 ' ' LEU . 17.8 m-85 -66.63 -29.61 69.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 74.32 110.947 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' 2105 ' ' TYR . 22.3 ttt85 -77.84 -28.16 50.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 73.11 110.287 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -75.15 -51.52 13.21 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.422 1.077 . . . . 51.34 110.337 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.572 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 17.0 pt -45.24 -35.08 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.552 1.157 . . . . 75.33 109.352 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.38 -47.09 20.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 74.01 110.02 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . 0.487 ' NZ ' ' NH1' ' A' 2109 ' ' ARG . 0.0 OUTLIER -41.45 124.29 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.33 109.245 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 73.02 110.291 -179.988 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 2.5 mtm . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.552 0.215 . . . . 63.13 111.021 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -13.64 15.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 74.43 110.303 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 45.04 -167.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 73.11 109.293 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 11.0 tt -54.18 -31.27 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 54.41 109.255 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.75 126.03 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 75.13 110.331 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.407 ' O ' ' OE1' ' A' 2025 ' ' GLU . 47.3 t -40.57 129.81 1.8 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 53.31 109.333 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.578 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.4 Cg_endo -74.96 -31.2 6.47 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 75.31 111.069 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.578 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -108.87 88.63 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 44.21 109.317 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.587 HD12 ' ND1' ' A' 2024 ' ' HIS . 0.2 OUTLIER -175.59 162.97 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 75.41 109.18 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.567 ' H ' HD13 ' A' 2022 ' ' LEU . 10.2 m0 -69.36 -52.49 26.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 71.2 108.067 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.587 ' ND1' HD12 ' A' 2022 ' ' LEU . 4.3 m80 -46.75 -24.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 71.32 109.635 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' 2023 ' ' TRP . 8.0 tp10 -69.03 -36.34 77.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 73.45 110.331 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.987 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.96 -31.1 62.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 74.13 110.948 -179.946 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.869 ' HH2' HD11 ' A' 2078 ' ' LEU . 63.0 m95 -68.67 -51.47 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 53.34 108.051 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -58.02 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 70.11 109.691 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' 2026 ' ' MET . 0.6 OUTLIER -63.04 -37.38 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 73.44 110.209 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -57.8 -64.96 3.89 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.634 1.209 . . . . 35.24 110.996 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 0.999 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.0 mt -58.87 -30.44 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 0.814 . . . . 74.12 109.316 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.95 -53.74 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 74.22 110.293 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.75 -48.73 44.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.388 1.055 . . . . 53.31 110.305 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 54.42 109.302 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.43 ' HB2' ' CE2' ' A' 2039 ' ' PHE . 51.9 p -60.62 -42.87 97.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 1.17 . . . . 73.03 109.912 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -59.88 -32.87 71.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.12 110.254 -179.934 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' 2034 ' ' ALA . 2.7 mt -70.53 -42.38 71.28 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.512 1.132 . . . . 65.34 109.291 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' 2041 ' ' GLU . 75.3 t80 -75.56 -55.07 6.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 75.11 110.934 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' 2035 ' ' SER . 26.3 m-85 -69.75 -48.49 59.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 70.43 110.926 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -70.65 -59.85 4.98 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.413 1.07 . . . . 11.43 111.001 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' 2038 ' ' TYR . 3.7 tt0 -102.92 -166.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.6 0.824 . . . . 71.52 110.303 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.62 20.97 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 74.15 110.337 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -95.5 94.84 8.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.569 1.168 . . . . 71.14 109.239 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.759 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 3.5 t -65.62 -11.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 45.54 109.217 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.29 -38.85 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 71.11 109.287 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.823 ' O ' HG23 ' A' 2050 ' ' VAL . . . -54.17 -56.13 22.87 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.373 1.046 . . . . 74.21 111.032 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.525 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 0.2 OUTLIER -60.62 -48.87 79.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 74.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.759 ' CE2' ' CG1' ' A' 2044 ' ' VAL . 2.8 m-30 -60.59 -43.66 97.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 61.15 111.017 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.555 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.3 pt-20 -72.32 -13.4 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 73.34 110.36 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' 2046 ' ' GLY . 6.8 t -84.9 -45.19 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.371 1.045 . . . . 70.04 109.313 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.84 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.64 -43.15 32.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.43 109.357 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.3 OUTLIER -37.27 -54.34 2.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 52.24 110.339 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -74.96 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 70.14 110.909 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.987 HD22 ' SD ' ' A' 2026 ' ' MET . 34.9 mt -48.2 -55.42 10.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 75.12 109.262 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 39.4 m170 -60.9 -51.81 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 73.12 109.514 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.68 -49.02 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 44.2 109.266 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -50.22 -41.55 50.04 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 72.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.634 ' HE3' ' CE ' ' A' 2026 ' ' MET . 0.0 OUTLIER -65.26 -34.57 78.67 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.065 . . . . 72.24 111.016 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' 2055 ' ' HIS . 6.2 mm-40 -74.81 -62.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 1.179 . . . . 75.22 110.371 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.455 ' C ' ' HD3' ' A' 2062 ' ' PRO . 8.0 ptm180 -72.52 -7.92 52.47 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.549 1.156 . . . . 71.31 110.323 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' 2057 ' ' MET . . . -125.36 67.51 0.52 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 52.4 110.949 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.3 Cg_endo -75.08 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 74.1 111.076 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.664 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -153.32 -73.93 0.13 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.63 1.206 . . . . 73.23 110.244 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 1.036 ' O ' HG23 ' A' 2068 ' ' THR . 4.8 p -159.68 175.62 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.41 110.368 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.519 ' HA ' HD22 ' A' 2065 ' ' LEU . 0.2 OUTLIER -53.78 -26.88 25.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 64.21 109.365 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.49 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.439 1.087 . . . . 41.51 109.356 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.518 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -68.33 -37.24 80.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 74.21 110.183 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 1.036 HG23 ' O ' ' A' 2064 ' ' THR . 71.7 p -54.08 -36.36 63.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 64.12 110.377 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -37.15 64.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.368 1.042 . . . . 64.1 110.022 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.62 ' HE2' HG22 ' A' 2111 ' ' ILE . 43.9 t80 -72.82 -53.29 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.33 110.971 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.499 ' O ' ' CA ' ' A' 2075 ' ' GLY . 23.9 t30 -64.85 -29.3 70.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 71.53 109.322 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' 2068 ' ' THR . 7.3 mt-30 -78.13 -51.45 10.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.381 1.051 . . . . 74.15 110.293 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.9 -50.68 5.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 74.31 109.265 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.558 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.1 m-85 -94.78 -14.83 24.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 71.21 111.017 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -37.73 -48.86 1.87 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 63.44 111.051 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -45.82 58.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 0.793 . . . . 73.25 110.294 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -55.17 -54.67 40.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.03 109.203 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.869 HD11 ' HH2' ' A' 2027 ' ' TRP . 37.5 mt -54.94 -34.38 63.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 50.52 109.33 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 26.4 tpp -64.43 -46.84 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.24 111.052 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 5.4 tt0 -60.29 -54.96 39.52 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.438 1.086 . . . . 74.34 110.41 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -52.61 -40.61 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 63.3 109.269 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.44 -42.89 92.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.52 110.271 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.6 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 74.43 110.25 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.735 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.3 m95 -72.08 -30.75 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.988 -1.116 . . . . 73.21 107.988 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 98.2 m -66.53 -58.79 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 75.44 108.258 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.25 73.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 74.3 110.311 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -59.54 -37.54 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 35.42 109.27 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.729 ' CE2' HD12 ' A' 2097 ' ' LEU . 1.2 t80 -75.79 -46.13 32.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 45.44 111.004 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.532 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 4.1 mtt -56.5 -31.93 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 75.05 110.977 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -55.79 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 72.03 109.315 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.2 t -68.39 -64.33 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 75.22 110.05 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.29 94.83 1.81 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.564 1.165 . . . . 53.34 110.995 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.63 113.72 1.12 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 0.785 . . . . 74.01 109.363 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.9 p -50.01 -37.16 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 72.54 109.351 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.8 tttt -49.4 -49.67 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 63.34 109.336 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.63 -32.2 69.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 74.43 109.379 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.729 HD12 ' CE2' ' A' 2088 ' ' TYR . 1.6 tt -64.97 -49.45 70.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 74.34 109.304 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.8 m -60.38 -50.31 74.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 62.54 110.334 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.422 ' O ' HD12 ' A' 2103 ' ' LEU . 1.0 OUTLIER -50.84 -51.48 50.77 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.584 1.177 . . . . 75.2 110.245 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.735 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -58.15 -43.21 87.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 74.22 109.312 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.999 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -62.79 -41.18 99.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 72.2 108.057 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 -47.36 71.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 75.21 109.252 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' 2107 ' ' VAL . 6.4 mp -59.44 -55.06 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 73.13 109.27 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.44 ' O ' HG22 ' A' 2107 ' ' VAL . 10.1 m-85 -55.39 -57.4 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 63.34 110.954 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.48 -41.61 30.25 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 73.22 110.942 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -57.08 -45.92 82.92 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.569 1.168 . . . . 71.32 109.548 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' 2103 ' ' LEU . 0.7 OUTLIER -72.74 -39.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 64.5 109.355 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.759 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 7.6 m-85 -67.88 -30.51 69.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 64.22 111.052 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' 2105 ' ' TYR . 0.1 OUTLIER -78.17 -36.83 47.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 72.34 110.301 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -64.35 -51.48 63.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 72.03 110.246 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.62 HG22 ' HE2' ' A' 2070 ' ' PHE . 18.4 pt -45.0 -40.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 73.24 109.355 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 7.7 t -79.63 -50.78 10.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 62.31 110.051 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 115.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 70.13 109.392 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 64.14 110.373 179.993 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.443 0.163 . . . . 72.11 110.987 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' 2016 ' ' LEU . 1.6 pt-20 -66.58 -38.57 87.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 64.33 110.263 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' 2017 ' ' ILE . 0.1 OUTLIER 81.69 116.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 71.44 109.304 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.513 HD13 ' N ' ' A' 2017 ' ' ILE . 4.5 mm -37.81 116.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.371 1.045 . . . . 71.43 109.245 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.588 ' NH1' ' CE1' ' A' 2028 ' ' HIS . 0.5 OUTLIER -179.13 154.16 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 73.21 110.28 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.88 HG11 HD22 ' A' 2022 ' ' LEU . 2.1 p -38.39 136.9 0.84 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 62.25 109.274 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.58 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.1 Cg_endo -75.04 -61.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.433 1.754 . . . . 65.24 110.861 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.58 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -86.07 90.92 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 73.11 109.306 -179.873 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.88 HD22 HG11 ' A' 2019 ' ' VAL . 1.3 tp -174.96 154.86 1.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 73.2 109.317 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.462 ' CD2' ' CE ' ' A' 2058 ' ' MET . 3.5 m0 -76.51 -47.2 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.31 108.026 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.7 m80 -48.06 -22.67 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 72.32 109.559 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' 2029 ' ' GLU . 0.1 OUTLIER -69.37 -35.03 75.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 72.13 110.249 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.974 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -78.69 -30.68 46.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 54.32 111.061 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.668 ' CH2' HD21 ' A' 2078 ' ' LEU . 64.8 m95 -71.9 -46.53 57.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.537 1.148 . . . . 74.4 108.022 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.588 ' CE1' ' NH1' ' A' 2018 ' ' ARG . 0.0 OUTLIER -64.83 -59.8 3.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 71.33 109.606 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' 2025 ' ' GLU . 0.0 OUTLIER -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.3 110.283 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.466 ' CA ' HD11 ' A' 2054 ' ' LEU . . . -60.27 -65.28 3.47 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 52.51 110.944 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.108 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.0 tp -59.95 -29.88 68.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 73.31 109.275 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.47 -53.92 47.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 73.42 110.326 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -67.95 -50.91 53.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 75.3 110.306 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.754 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -55.31 -47.66 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 74.24 109.35 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 30.7 t -57.71 -40.55 79.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 65.3 109.955 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.483 ' O ' ' CA ' ' A' 2040 ' ' GLY . 2.6 ttt85 -63.1 -34.7 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 63.04 110.349 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.76 HD13 ' HA3' ' A' 2046 ' ' GLY . 2.0 mt -69.86 -36.1 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 72.54 109.373 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 77.1 t80 -82.92 -56.19 3.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 72.41 110.992 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -73.9 -47.04 40.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 75.24 110.957 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -72.6 -67.36 1.84 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 43.1 111.014 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' 2037 ' ' LEU . 2.2 mt-10 -94.48 -168.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 0.729 . . . . 73.22 110.26 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.23 23.37 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.42 110.361 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -103.44 94.33 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 73.03 109.287 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.705 HG21 ' CD2' ' A' 2097 ' ' LEU . 2.3 t -62.36 -23.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 75.44 109.316 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' 2049 ' ' GLU . 0.0 OUTLIER -56.82 -36.47 69.99 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.487 1.117 . . . . 64.45 109.358 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' 2050 ' ' VAL . . . -51.59 -50.85 40.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.606 1.191 . . . . 35.34 111.036 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.546 ' HE3' ' CD1' ' A' 2048 ' ' PHE . 10.7 tmm? -64.6 -53.9 40.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 75.3 111.015 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' 2089 ' ' MET . 11.3 m-85 -51.56 -47.06 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.663 1.227 . . . . 71.43 110.949 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' 2046 ' ' GLY . 1.7 pp20? -73.68 -14.75 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 74.12 110.278 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' 2046 ' ' GLY . 3.7 t -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.621 1.2 . . . . 71.4 109.336 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.829 HD23 ' N ' ' A' 2051 ' ' LEU . 0.4 OUTLIER -78.21 -40.09 38.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 62.24 109.399 179.878 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' 2053 ' ' PRO . 5.9 mt-10 -41.49 -53.7 7.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 73.4 110.35 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.606 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.99 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 75.14 111.043 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.974 HD22 ' SD ' ' A' 2026 ' ' MET . 56.9 mt -49.96 -55.12 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 73.24 109.259 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 57.5 m170 -60.0 -51.27 70.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 74.32 109.536 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.6 -49.74 67.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 55.44 109.181 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.532 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.31 -37.66 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 53.05 111.025 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.57 ' HE3' ' HG2' ' A' 2026 ' ' MET . 2.1 mmt -70.13 -33.26 71.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.153 . . . . 62.13 110.991 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.4 -63.34 1.21 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.632 1.208 . . . . 63.24 110.239 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' 2056 ' ' ALA . 7.6 ptm180 -73.38 -19.73 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 73.34 110.203 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -121.53 74.84 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.436 1.085 . . . . 53.41 111.043 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.84 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.667 1.878 . . . . 60.52 111.049 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -133.06 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 72.11 110.284 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -179.27 163.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 71.13 110.388 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' 2068 ' ' THR . 0.2 OUTLIER -49.33 -26.11 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 71.4 109.317 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -73.22 -36.26 66.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 64.31 109.273 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' 2064 ' ' THR . 1.2 pp20? -47.3 -22.34 0.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.109 . . . . 73.54 110.255 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.563 HG23 ' O ' ' A' 2065 ' ' LEU . 46.7 p -53.85 -42.76 68.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 63.31 110.398 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' 2073 ' ' ALA . 0.2 OUTLIER -53.4 -44.92 69.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 74.4 110.012 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.85 ' CZ ' HG22 ' A' 2111 ' ' ILE . 0.8 OUTLIER -72.37 -54.51 9.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 75.44 111.078 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.584 ' O ' ' CA ' ' A' 2075 ' ' GLY . 60.0 t-20 -56.16 -35.08 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.5 109.315 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' 2068 ' ' THR . 6.8 mt-30 -81.04 -46.26 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 75.33 110.301 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' 2069 ' ' SER . . . -41.95 -51.93 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 52.2 109.268 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.634 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.5 m-85 -101.75 -12.09 18.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 71.23 111.011 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.584 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.72 -34.41 1.23 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.504 1.128 . . . . 74.53 110.929 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -40.89 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 72.33 110.31 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' 2074 ' ' TYR . 1.0 OUTLIER -61.66 -58.94 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 72.44 109.306 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.668 HD21 ' CH2' ' A' 2027 ' ' TRP . 9.5 mp -52.39 -43.55 64.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 62.34 109.296 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.0 OUTLIER -50.69 -49.75 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 72.24 111.074 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 20.7 tt0 -71.74 -47.62 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 74.21 110.296 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' 2103 ' ' LEU . . . -53.72 -44.26 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 72.42 109.312 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -38.76 92.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 71.41 110.316 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -37.62 76.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 70.31 110.249 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.826 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.0 m95 -73.72 -32.26 63.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.973 -1.121 . . . . 75.01 107.973 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.405 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 1.1 m -64.93 -48.79 72.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 60.22 108.28 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -41.14 97.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 71.22 110.305 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -33.96 75.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 72.04 109.242 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.584 ' CE2' HG11 ' A' 2044 ' ' VAL . 6.2 t80 -71.88 -47.32 53.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 63.51 110.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' 2048 ' ' PHE . 0.6 OUTLIER -62.11 -29.21 70.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 75.23 110.992 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.6 -52.17 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 75.04 109.233 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 49.1 m -83.18 -66.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 73.23 110.028 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.06 89.16 2.01 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 55.22 111.033 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . 0.406 ' O ' ' OD2' ' A' 2096 ' ' ASP . 0.7 OUTLIER -149.09 133.6 17.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 0.785 . . . . 64.5 109.27 179.915 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.8 p -72.67 -40.83 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 75.32 109.25 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -49.93 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 74.54 109.315 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' 2097 ' ' LEU . 0.0 OUTLIER -65.48 -45.49 83.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.34 109.398 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.705 ' CD2' HG21 ' A' 2044 ' ' VAL . 14.5 tp -58.65 -38.08 77.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 73.25 109.3 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.1 m -61.79 -50.5 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 73.43 110.439 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -47.87 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 73.44 110.312 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.26 -48.17 77.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 70.22 109.366 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.435 ' CZ3' ' HG ' ' A' 2031 ' ' LEU . 1.4 m95 -55.52 -37.35 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 74.24 107.954 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.3 -48.06 83.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.35 109.298 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' A' 2081 ' ' ALA . 4.4 mp -54.65 -54.07 46.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 64.23 109.255 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.54 ' O ' HG22 ' A' 2107 ' ' VAL . 18.9 m-85 -56.38 -56.87 15.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 75.43 110.93 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.547 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -49.78 -33.47 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 64.12 110.881 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.44 -55.12 26.8 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 74.23 109.578 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.634 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.5 m -66.44 -44.26 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 64.44 109.263 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.108 ' CG ' HD22 ' A' 2031 ' ' LEU . 15.0 m-85 -66.22 -29.24 69.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 71.22 110.879 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.547 ' CB ' ' O ' ' A' 2105 ' ' TYR . 4.1 ttm180 -76.35 -32.86 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.31 110.309 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -51.63 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.43 110.247 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.85 HG22 ' CZ ' ' A' 2070 ' ' PHE . 12.6 pt -43.53 -38.98 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 64.33 109.262 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 41.8 t -80.54 -54.38 5.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 70.31 110.087 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 148.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 75.13 109.312 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 74.04 110.298 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 1.4 tpp . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.389 0.138 . . . . 72.11 111.064 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.54 -10.89 60.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 74.32 110.245 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.598 ' C ' HD12 ' A' 2017 ' ' ILE . 0.6 OUTLIER 68.06 52.05 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 75.32 109.336 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.648 HG22 ' H ' ' A' 2018 ' ' ARG . 1.8 mp 52.16 175.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 64.54 109.373 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.648 ' H ' HG22 ' A' 2017 ' ' ILE . 0.0 OUTLIER -158.86 47.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 74.2 110.355 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.602 HG21 ' HB2' ' A' 2022 ' ' LEU . 0.4 OUTLIER -150.37 137.42 11.45 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 71.31 109.339 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.467 ' HD2' HG23 ' A' 2019 ' ' VAL . 18.2 Cg_endo -74.99 -71.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 74.02 111.039 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.565 ' O ' HD23 ' A' 2022 ' ' LEU . 1.3 pp -119.47 118.31 56.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.497 1.123 . . . . 74.51 109.365 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.602 ' HB2' HG21 ' A' 2019 ' ' VAL . 0.2 OUTLIER 178.32 170.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.23 109.343 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.617 ' CG ' ' CE ' ' A' 2058 ' ' MET . 9.6 m0 -48.44 -51.79 25.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 75.54 107.963 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.476 ' HB2' HG11 ' A' 2019 ' ' VAL . 5.9 m80 -46.97 -23.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.324 1.015 . . . . 75.14 109.585 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' 2022 ' ' LEU . 2.0 tm-20 -70.67 -35.3 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 71.41 110.186 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.518 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -77.94 -29.73 50.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 75.45 111.046 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.801 ' HH2' HD11 ' A' 2078 ' ' LEU . 55.1 m95 -69.4 -49.6 53.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.918 -1.141 . . . . 71.32 107.918 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' 2029 ' ' GLU . 0.0 OUTLIER -61.42 -56.07 24.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 73.33 109.58 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' 2028 ' ' HIS . 1.5 mm-40 -57.93 -43.39 86.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 72.45 110.306 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.2 -63.43 4.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.583 1.177 . . . . 74.23 110.92 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.071 HD11 ' CG ' ' A' 2108 ' ' PHE . 5.4 mt -56.32 -30.59 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 64.24 109.229 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -55.84 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 71.43 110.309 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.62 -46.54 63.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 73.33 110.322 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -56.49 -47.63 78.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 61.44 109.305 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' 2031 ' ' LEU . 58.7 m -56.74 -45.46 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 62.33 110.043 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.403 ' O ' ' HA3' ' A' 2040 ' ' GLY . 0.0 OUTLIER -60.03 -32.5 70.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.117 . . . . 73.42 110.41 179.894 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' 2034 ' ' ALA . 4.3 mt -70.9 -34.67 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 75.12 109.282 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.668 ' HD1' HG12 ' A' 2044 ' ' VAL . 83.7 t80 -83.35 -55.4 4.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 73.15 110.997 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -69.71 -48.63 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 75.24 110.988 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' 2036 ' ' ARG . . . -58.0 -56.66 23.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 62.22 110.985 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' 2037 ' ' LEU . 13.2 tp10 -127.77 167.82 15.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 0.762 . . . . 75.31 110.232 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 43.27 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 64.23 110.38 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.449 ' CB ' ' HD3' ' A' 2045 ' ' LYS . 58.0 m-20 -123.28 92.24 3.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 75.43 109.32 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.958 HG11 HD21 ' A' 2097 ' ' LEU . 30.7 m -72.32 -14.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.075 . . . . 64.12 109.231 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.449 ' HD3' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.91 -44.38 60.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 73.34 109.302 179.918 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.685 ' O ' HG23 ' A' 2050 ' ' VAL . . . -53.28 -53.01 36.92 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 74.31 111.027 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.57 ' HA ' ' CB ' ' A' 2034 ' ' ALA . 7.1 tmm? -53.96 -46.97 71.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 0.738 . . . . 72.22 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.6 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 9.3 m-85 -63.49 -39.2 93.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 54.41 110.994 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 20.0 mt-10 -75.5 -13.79 60.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.571 1.17 . . . . 71.24 110.281 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' 2046 ' ' GLY . 23.1 t -84.6 -43.29 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.642 1.214 . . . . 74.32 109.33 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.659 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.59 -46.53 25.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 55.25 109.271 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' 2051 ' ' LEU . 0.6 OUTLIER -34.6 -55.34 0.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 71.21 110.284 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.573 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.5 Cg_endo -74.96 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 71.33 110.961 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.518 HD22 ' SD ' ' A' 2026 ' ' MET . 16.9 mt -49.3 -56.65 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 75.43 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 62.9 m170 -59.57 -50.45 73.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 75.5 109.63 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.5 ' CB ' HH21 ' A' 2060 ' ' ARG . . . -51.67 -49.9 61.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 62.12 109.3 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.524 ' HE2' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.55 -39.36 57.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 62.44 110.957 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.617 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 2.3 mmt -67.9 -33.56 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 72.33 110.959 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' 2059 ' ' GLU . 4.9 mm-40 -73.21 -63.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 74.15 110.275 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.5 HH21 ' CB ' ' A' 2056 ' ' ALA . 3.5 ptt180 -71.46 -18.59 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.414 1.071 . . . . 73.34 110.28 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2057 ' ' MET . . . -116.64 79.83 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.147 . . . . 50.23 111.006 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.581 1.832 . . . . 53.44 110.959 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.505 ' C ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -145.9 -80.45 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.625 1.203 . . . . 73.21 110.296 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.505 HG23 ' C ' ' A' 2063 ' ' GLN . 27.0 p -156.95 -173.47 4.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 45.34 110.359 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' 2065 ' ' LEU . 0.0 OUTLIER -61.75 -32.91 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.263 0.977 . . . . 70.02 109.341 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.3 86.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 75.23 109.368 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.557 ' HG2' ' CZ3' ' A' 2023 ' ' TRP . 0.3 OUTLIER -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.2 110.232 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 39.5 m -61.85 -36.13 80.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 72.44 110.377 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -36.12 74.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.626 1.204 . . . . 55.52 110.124 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.673 ' HE2' HG22 ' A' 2111 ' ' ILE . 38.8 t80 -63.18 -52.39 62.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 70.32 111.011 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' 2075 ' ' GLY . 0.9 OUTLIER -62.03 -29.47 70.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 74.45 109.371 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.78 -39.0 31.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 65.22 110.322 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -57.9 -24.78 59.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.42 109.412 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.814 ' HD1' HG22 ' A' 2107 ' ' VAL . 35.9 m-85 -118.45 -13.6 9.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 73.34 111.009 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -43.86 -38.87 4.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 53.21 111.022 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' 2079 ' ' MET . 0.0 OUTLIER -81.59 -26.24 35.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 0.741 . . . . 75.34 110.367 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' 2074 ' ' TYR . 73.7 m-20 -80.12 -52.39 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 64.24 109.283 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.801 HD11 ' HH2' ' A' 2027 ' ' TRP . 4.4 mt -57.03 -43.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 64.23 109.275 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' 2076 ' ' ARG . 11.1 ptm -66.48 -40.58 89.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 73.52 110.966 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.489 ' N ' ' HG3' ' A' 2079 ' ' MET . 54.7 tt0 -67.71 -57.92 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 73.42 110.326 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -56.93 -43.22 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 63.33 109.384 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' 2078 ' ' LEU . 2.9 tp60 -58.32 -39.28 79.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 71.31 110.251 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -37.89 89.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 60.13 110.225 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 97.4 m95 -66.07 -35.03 79.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 72.32 108.013 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.7 t -61.56 -48.07 82.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 71.14 108.341 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' 2082 ' ' GLN . 5.4 mtp180 -59.98 -38.73 83.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.34 110.233 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' 2091 ' ' SER . 6.5 mtpm? -59.98 -42.39 94.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 72.54 109.329 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 2092 ' ' GLY . 1.4 t80 -73.35 -48.28 35.51 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.48 1.112 . . . . 71.23 110.994 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -30.37 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.665 1.228 . . . . 51.01 111.048 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.69 -56.74 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 74.45 109.347 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.5 t -72.02 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 61.24 110.021 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 100.63 83.67 1.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.398 1.061 . . . . 53.01 110.968 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.26 121.45 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 62.54 109.305 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.23 -20.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.41 1.069 . . . . 75.55 109.332 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.3 tptt -62.78 -50.85 69.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 72.11 109.29 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.95 -37.38 75.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 72.45 109.259 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.958 HD21 HG11 ' A' 2044 ' ' VAL . 0.3 OUTLIER -65.61 -47.14 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 71.01 109.299 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 16.3 m -59.59 -43.45 93.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 75.4 110.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 74.2 110.262 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -57.31 -44.95 84.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 40.12 109.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.622 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.1 OUTLIER -66.37 -30.9 71.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.32 108.054 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.44 -50.64 64.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 74.41 109.284 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.783 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 9.3 mt -57.74 -46.99 83.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.378 1.049 . . . . 74.35 109.23 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.95 -47.06 86.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 72.34 111.051 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -48.82 -48.59 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 72.42 111.019 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.49 -44.5 96.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.425 1.078 . . . . 74.22 109.502 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.814 HG22 ' HD1' ' A' 2074 ' ' TYR . 3.4 t -61.75 -57.04 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 54.2 109.356 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.071 ' CG ' HD11 ' A' 2031 ' ' LEU . 25.2 m-85 -64.66 -27.34 68.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 74.22 111.021 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.62 ' NE ' ' HZ2' ' A' 2113 ' ' LYS . 3.9 ttm180 -73.93 -26.7 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 63.13 110.242 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -51.98 10.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 74.23 110.287 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.673 HG22 ' HE2' ' A' 2070 ' ' PHE . 11.9 pt -43.18 -34.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 42.31 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 79.1 p -84.0 -53.65 5.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.463 1.102 . . . . 63.41 109.988 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . 0.62 ' HZ2' ' NE ' ' A' 2109 ' ' ARG . 3.5 mttt -43.67 159.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 73.32 109.38 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 10.5 tm0? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 73.52 110.331 -179.963 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 6.3 mmt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.6 0.238 . . . . 72.23 110.943 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' 2016 ' ' LEU . 49.0 mt-10 -116.29 -12.94 11.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 73.32 110.223 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.637 ' HB3' HD12 ' A' 2017 ' ' ILE . 3.4 mm? 68.84 -109.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 1.196 . . . . 70.51 109.275 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' 2016 ' ' LEU . 1.0 OUTLIER -141.75 114.31 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 60.45 109.284 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' 2019 ' ' VAL . 0.0 OUTLIER 179.52 147.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.43 110.354 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.696 HG13 ' HD2' ' A' 2020 ' ' PRO . 67.3 t -38.79 143.59 0.45 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 62.23 109.241 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.696 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.7 Cg_endo -74.96 -90.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 74.32 111.105 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.8 ' O ' HD12 ' A' 2021 ' ' ILE . 2.2 pp -63.75 81.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.453 1.096 . . . . 71.45 109.269 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.569 HD22 HG11 ' A' 2019 ' ' VAL . 1.5 tp -159.29 155.13 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 71.02 109.269 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.577 ' CE3' ' SD ' ' A' 2058 ' ' MET . 4.5 m0 -78.44 -51.05 10.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.158 . . . . 74.41 108.05 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.3 m170 -47.15 -22.16 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 74.4 109.678 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' 2023 ' ' TRP . 4.2 tp10 -68.72 -35.25 76.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 74.15 110.324 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -79.55 -33.09 42.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 61.14 111.082 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.71 ' CH2' HD21 ' A' 2078 ' ' LEU . 64.6 m95 -67.68 -47.71 68.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 71.45 108.005 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -57.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 63.32 109.585 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.2 OUTLIER -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.351 1.032 . . . . 62.25 110.279 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' 2026 ' ' MET . . . -57.65 -62.85 5.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 64.41 110.983 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 0.945 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.6 mt -60.21 -32.0 70.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 0.804 . . . . 54.54 109.379 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -54.15 -47.69 71.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 53.31 110.316 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.902 ' OE1' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER -78.15 -50.6 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 72.22 110.29 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -53.7 -46.46 70.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.33 109.256 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' 2031 ' ' LEU . 41.2 t -67.47 -44.08 79.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 65.14 109.968 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.57 -51.93 63.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.363 1.039 . . . . 65.11 110.374 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.902 HD23 ' OE1' ' A' 2033 ' ' GLU . 3.5 pp -70.1 -41.2 74.31 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 72.43 109.345 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.507 ' CD1' HG12 ' A' 2044 ' ' VAL . 49.4 t80 -53.89 -54.74 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 65.02 110.965 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . 0.401 ' CD2' ' HD2' ' A' 2038 ' ' TYR . 45.8 m-85 -77.02 -42.94 36.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 74.04 110.964 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -74.78 -71.53 1.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.165 . . . . 64.32 110.975 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' 2037 ' ' LEU . 4.9 tp10 -53.65 -37.57 63.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 72.53 110.392 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' 2041 ' ' GLU . 4.2 tpt180 83.91 12.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.585 1.178 . . . . 73.13 110.264 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.461 ' ND2' ' NZ ' ' A' 2045 ' ' LYS . 19.7 m-20 -114.46 128.79 56.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 74.22 109.318 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 1.08 HG11 HD21 ' A' 2097 ' ' LEU . 35.8 m -82.76 -27.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 74.25 109.273 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.461 ' NZ ' ' ND2' ' A' 2043 ' ' ASN . 0.0 OUTLIER -48.83 -39.53 25.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.385 1.053 . . . . 74.24 109.323 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -57.75 -53.89 41.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 70.33 111.061 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.551 ' HA ' ' HB1' ' A' 2034 ' ' ALA . 4.7 tmm? -53.29 -42.39 66.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 0.731 . . . . 70.52 110.921 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.586 ' HZ ' HD13 ' A' 2097 ' ' LEU . 13.0 m-85 -65.56 -36.98 85.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 70.44 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.549 ' O ' ' CD ' ' A' 2053 ' ' PRO . 26.9 mt-10 -75.63 -14.59 60.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.608 1.192 . . . . 72.23 110.309 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.828 ' O ' HD22 ' A' 2054 ' ' LEU . 18.9 t -84.41 -43.95 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.624 1.203 . . . . 60.15 109.225 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.692 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.88 -45.23 28.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 75.11 109.359 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.448 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.39 -54.41 1.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 71.21 110.341 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.587 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.01 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 71.51 110.988 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.89 -55.37 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 60.43 109.28 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 67.5 m170 -59.81 -52.01 67.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.517 1.136 . . . . 75.3 109.654 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.95 -49.87 62.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 64.31 109.254 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.13 -37.96 49.16 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 1.151 . . . . 72.4 110.965 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.577 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.1 mmt -67.9 -35.33 78.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 74.11 111.076 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' 2055 ' ' HIS . 7.3 mm-40 -72.47 -63.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.368 1.042 . . . . 73.43 110.296 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' 2056 ' ' ALA . 15.0 ptm180 -72.09 -14.82 61.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 75.12 110.357 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.54 73.26 0.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.629 1.206 . . . . 45.12 110.974 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 74.3 111.061 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' 2064 ' ' THR . 3.5 tt0 -147.5 -72.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.35 1.031 . . . . 54.51 110.392 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.518 HG23 ' O ' ' A' 2063 ' ' GLN . 12.8 p -156.3 176.69 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 74.55 110.353 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -62.84 -27.63 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 74.11 109.382 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -38.88 78.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 70.14 109.316 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.499 ' OE1' ' CZ3' ' A' 2023 ' ' TRP . 0.6 OUTLIER -78.9 -20.81 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 65.32 110.309 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.2 m -60.2 -26.72 66.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 74.33 110.352 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -32.28 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 63.42 109.939 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.57 ' HE2' HG22 ' A' 2111 ' ' ILE . 32.5 t80 -68.6 -47.91 65.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.456 1.098 . . . . 75.11 111.027 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.502 ' O ' ' CA ' ' A' 2075 ' ' GLY . 4.3 t-20 -71.79 -28.58 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.45 109.31 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.27 -52.4 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 74.12 110.337 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.36 -49.56 5.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 73.11 109.285 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.593 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 14.2 m-85 -95.34 -16.43 22.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 73.21 110.972 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -41.25 -33.74 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 72.13 111.075 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . 0.554 ' CD ' ' N ' ' A' 2077 ' ' ASP . 0.0 OUTLIER -79.58 -41.28 27.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 55.2 110.322 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.554 ' N ' ' CD ' ' A' 2076 ' ' ARG . 13.0 m-20 -62.46 -57.84 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.592 1.182 . . . . 53.4 109.362 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.71 HD21 ' CH2' ' A' 2027 ' ' TRP . 9.1 mp -52.25 -44.3 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 73.44 109.301 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -49.78 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 71.43 110.952 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 22.0 tt0 -70.88 -48.17 55.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 52.43 110.28 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.623 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.55 -45.1 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 53.22 109.285 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -63.15 -36.92 85.22 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.572 1.17 . . . . 74.5 110.355 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.533 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -62.91 -35.29 79.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 74.45 110.299 179.896 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . . . . . . . . . 99.7 m95 -76.87 -25.51 53.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.956 -1.127 . . . . 51.45 107.956 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.539 ' SG ' ' CD1' ' A' 2048 ' ' PHE . 3.3 t -70.97 -58.43 3.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.656 1.222 . . . . 75.25 108.326 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.533 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.9 OUTLIER -66.05 -28.27 68.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 72.23 110.339 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -70.09 -38.27 75.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.41 109.307 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.401 ' CE2' HD22 ' A' 2097 ' ' LEU . 14.5 t80 -77.1 -40.79 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 64.5 111.038 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 2.6 mtt -60.43 -44.12 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 62.44 111.032 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -56.92 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.354 1.034 . . . . 75.12 109.277 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.91 81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.13 109.962 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . . . . . . . . . . . -131.89 -140.02 4.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 42.35 110.971 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -149.56 159.59 44.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.51 0.77 . . . . 75.14 109.312 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -36.98 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 72.13 109.246 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -49.6 44.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.44 1.088 . . . . 75.34 109.301 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -64.78 -39.6 93.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 74.45 109.298 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 1.08 HD21 HG11 ' A' 2044 ' ' VAL . 0.7 OUTLIER -62.68 -46.79 86.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 65.54 109.31 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 3.8 m -59.02 -39.7 82.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 72.23 110.449 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.416 ' O ' HD12 ' A' 2103 ' ' LEU . 1.5 tt0 -60.44 -50.16 74.71 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.633 1.208 . . . . 64.42 110.373 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -54.01 -49.48 68.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.41 109.3 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.655 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.71 -37.09 80.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 74.41 107.997 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.69 -51.32 70.03 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 73.52 109.291 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.623 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.5 mp -54.84 -53.96 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 70.03 109.317 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.485 ' O ' HG22 ' A' 2107 ' ' VAL . 13.8 m-85 -54.88 -54.51 41.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.5 111.007 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.559 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.3 OUTLIER -48.76 -38.49 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 75.05 110.961 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -54.47 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.31 109.652 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.632 HG21 HD11 ' A' 2078 ' ' LEU . 0.9 OUTLIER -65.87 -49.93 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.18 . . . . 72.52 109.311 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.945 ' CG ' HD11 ' A' 2031 ' ' LEU . 16.6 m-85 -61.32 -28.68 69.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.357 1.035 . . . . 71.01 111.033 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.559 ' CB ' ' O ' ' A' 2105 ' ' TYR . 28.1 ttt180 -74.96 -32.61 61.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 72.21 110.306 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -70.28 -51.45 30.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 64.34 110.233 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.57 HG22 ' HE2' ' A' 2070 ' ' PHE . 18.1 pt -44.9 -31.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 75.02 109.287 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' 2113 ' ' LYS . 6.0 m -82.43 -57.01 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.31 109.97 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER -39.81 134.33 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 74.32 109.333 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 74.12 110.297 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 11.8 mtt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.62 0.248 . . . . 73.42 110.989 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.19 -11.23 11.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 74.54 110.269 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.664 HD12 ' NH1' ' A' 2018 ' ' ARG . 0.5 OUTLIER -87.8 55.04 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 73.44 109.24 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' 2016 ' ' LEU . 21.9 mm -120.94 138.66 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 73.25 109.28 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.664 ' NH1' HD12 ' A' 2016 ' ' LEU . 0.0 OUTLIER -166.61 177.44 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 74.31 110.33 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.694 HG13 ' HD2' ' A' 2020 ' ' PRO . 75.8 t -74.25 142.89 79.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.41 109.332 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.694 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.2 Cg_endo -75.07 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 74.23 111.019 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.607 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -106.12 88.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 73.4 109.295 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -173.77 164.09 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 75.11 109.258 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.589 ' CE3' ' SD ' ' A' 2058 ' ' MET . 6.4 m0 -49.15 -48.09 45.11 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.114 . . . . 72.22 107.991 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 3.0 m170 -47.15 -22.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 75.02 109.554 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' 2022 ' ' LEU . 14.2 tp10 -70.27 -37.57 74.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 73.41 110.346 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -73.93 -32.36 63.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.622 1.201 . . . . 61.52 111.028 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' 2108 ' ' PHE . 61.7 m95 -68.1 -50.15 56.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.97 -1.122 . . . . 73.02 107.97 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -43.7 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 75.34 109.596 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' 2025 ' ' GLU . 5.9 mm-40 -66.49 -40.92 89.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.578 1.174 . . . . 72.25 110.339 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -56.47 -61.95 6.9 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 62.33 110.952 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 0.946 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.3 mt -59.33 -32.84 70.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 74.34 109.32 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -54.36 38.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 60.25 110.319 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 74.41 110.291 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' A' 2047 ' ' MET . . . -53.85 -44.98 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 53.31 109.293 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' 2031 ' ' LEU . 26.7 p -74.31 -47.82 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 75.52 109.944 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -51.19 -51.16 56.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 74.41 110.301 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' 2041 ' ' GLU . 2.9 pp -66.78 -43.34 84.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 72.52 109.343 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.628 ' CD1' HG22 ' A' 2044 ' ' VAL . 48.1 t80 -55.73 -48.75 74.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.327 1.017 . . . . 65.11 111.009 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -76.53 -46.46 26.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 71.44 110.972 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -80.38 -71.22 1.29 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.129 . . . . 53.31 111.006 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' 2037 ' ' LEU . 0.5 OUTLIER -48.3 -46.78 36.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.369 0.688 . . . . 73.11 110.383 179.916 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' A' 2041 ' ' GLU . 0.1 OUTLIER 85.83 14.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.078 . . . . 75.11 110.242 179.904 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.6 m-20 -116.31 104.37 11.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.16 . . . . 71.33 109.279 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.795 HG12 ' CE2' ' A' 2048 ' ' PHE . 42.8 t -60.96 -25.69 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 75.41 109.338 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -50.61 -33.66 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 70.21 109.309 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' 2037 ' ' LEU . . . -63.33 -53.86 36.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.542 1.151 . . . . 53.44 111.04 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.624 ' CE ' ' CE1' ' A' 2048 ' ' PHE . 8.7 tmm? -52.93 -41.93 64.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.565 0.803 . . . . 45.42 111.032 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.795 ' CE2' HG12 ' A' 2044 ' ' VAL . 14.7 m-85 -68.3 -37.18 80.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 62.33 111.013 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.538 ' O ' ' CD ' ' A' 2053 ' ' PRO . 33.8 mt-10 -76.17 -14.02 60.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 74.24 110.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.75 ' O ' HD22 ' A' 2054 ' ' LEU . 17.5 t -84.41 -44.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 74.52 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -76.56 -45.56 30.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 73.42 109.286 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.466 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 0.0 OUTLIER -35.11 -55.21 1.02 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 73.22 110.392 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.566 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.99 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 75.12 110.988 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.94 -56.27 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 64.12 109.329 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.583 ' CE1' HD23 ' A' 2078 ' ' LEU . 27.0 m170 -58.88 -52.48 65.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.4 1.063 . . . . 63.34 109.585 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.73 -50.2 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 53.51 109.293 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.522 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.14 -37.23 45.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 65.54 111.011 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.589 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.3 mmt -68.93 -32.49 72.14 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.546 1.154 . . . . 75.24 110.995 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.09 -64.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.32 110.278 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.9 OUTLIER -71.24 -16.96 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 73.55 110.3 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -120.26 76.35 0.32 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.595 1.185 . . . . 22.11 111.017 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.389 1.731 . . . . 64.44 111.014 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.504 ' C ' HG23 ' A' 2064 ' ' THR . 2.2 tp60 -151.78 -76.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.32 110.349 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.504 HG23 ' C ' ' A' 2063 ' ' GLN . 39.9 p -156.27 179.92 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 73.0 110.388 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.1 OUTLIER -59.87 -27.86 67.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.11 109.326 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -35.21 80.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 54.24 109.254 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -22.45 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 60.4 110.318 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' 2065 ' ' LEU . 1.0 OUTLIER -60.35 -36.62 78.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 71.31 110.542 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 37.8 m -73.37 -32.0 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 61.22 109.963 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.598 ' HE1' HG22 ' A' 2111 ' ' ILE . 71.6 t80 -66.26 -52.19 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 73.32 111.062 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.506 ' O ' ' CA ' ' A' 2075 ' ' GLY . 2.0 t-20 -66.0 -29.08 69.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 72.21 109.302 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -78.11 -51.44 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 74.24 110.329 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.25 -53.55 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 33.45 109.222 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.639 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 18.6 m-85 -92.78 -17.42 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 74.32 110.965 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.16 -29.79 0.23 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.612 1.195 . . . . 72.32 110.994 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -80.83 -45.42 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 71.35 110.232 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' 2074 ' ' TYR . 3.4 m-20 -62.09 -58.09 9.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.32 109.377 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.829 HD11 HG21 ' A' 2107 ' ' VAL . 9.8 mp -52.95 -36.1 59.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 63.05 109.314 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' 2075 ' ' GLY . 1.0 OUTLIER -56.36 -53.84 52.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.433 1.083 . . . . 73.23 110.994 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.679 ' OE1' HD22 ' A' 2103 ' ' LEU . 2.8 pt-20 -72.38 -36.62 68.76 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.434 1.084 . . . . 72.23 110.243 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -63.28 -41.9 99.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 71.14 109.354 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -33.57 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 70.23 110.309 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -36.71 79.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 71.13 110.266 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' 2080 ' ' GLU . 97.1 m95 -67.76 -37.03 81.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 73.24 108.121 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 3.2 t -61.04 -50.65 72.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 74.13 108.383 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -41.56 86.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 74.53 110.261 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.24 -46.12 79.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 74.14 109.289 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.578 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 1.2 t80 -69.78 -46.69 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 75.45 111.041 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.587 ' HE2' ' CD2' ' A' 2048 ' ' PHE . 2.7 mtt -58.38 -27.55 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 65.04 111.062 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -56.23 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 71.51 109.309 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 38.3 m -78.14 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 62.15 110.024 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 102.57 86.23 1.92 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 43.5 111.014 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.77 118.79 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 52.22 109.303 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -53.79 -30.6 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.592 1.183 . . . . 63.03 109.29 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -57.14 -50.28 73.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 72.54 109.241 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' 2096 ' ' ASP . 0.0 OUTLIER -67.5 -39.71 85.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.351 1.032 . . . . 54.03 109.238 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.739 HD21 HG21 ' A' 2044 ' ' VAL . 12.5 tp -62.59 -43.0 99.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 74.21 109.308 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 19.4 m -61.07 -47.25 87.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.645 1.216 . . . . 50.42 110.389 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -45.69 81.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 74.22 110.253 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -60.61 -47.0 88.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.22 109.335 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.735 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -63.69 -30.44 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 74.12 108.071 179.888 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.18 -48.65 67.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 63.14 109.319 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.679 HD22 ' OE1' ' A' 2080 ' ' GLU . 14.2 mt -57.64 -51.63 68.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 64.44 109.301 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.491 ' O ' HG22 ' A' 2107 ' ' VAL . 19.7 m-85 -54.35 -55.67 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 74.04 110.962 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -48.85 -38.89 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 72.41 110.996 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.94 -54.2 49.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 74.43 109.512 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.829 HG21 HD11 ' A' 2078 ' ' LEU . 0.9 OUTLIER -68.18 -49.03 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 74.23 109.348 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.946 ' CG ' HD11 ' A' 2031 ' ' LEU . 13.6 m-85 -60.34 -29.06 68.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 62.2 110.959 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' A' 2105 ' ' TYR . 1.7 ttm105 -75.29 -35.0 61.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 73.12 110.352 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -67.31 -51.48 52.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 74.42 110.229 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.598 HG22 ' HE1' ' A' 2070 ' ' PHE . 17.1 pt -45.26 -33.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.2 109.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 72.9 m -88.16 -52.92 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 65.1 109.948 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.35 127.79 4.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 44.45 109.338 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 54.12 110.342 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 8.0 mtm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.533 0.206 . . . . 73.34 111.008 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.01 -8.85 14.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 72.0 110.181 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 5.8 mp 65.84 -114.74 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 54.02 109.306 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.21 155.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 74.33 109.351 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' 2019 ' ' VAL . 0.2 OUTLIER 179.56 136.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 72.3 110.321 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.7 HG13 ' HG ' ' A' 2022 ' ' LEU . 0.1 OUTLIER -124.4 124.07 25.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 70.34 109.293 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.467 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.6 Cg_endo -75.07 -21.15 16.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.582 1.833 . . . . 71.34 110.978 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.538 ' N ' HD13 ' A' 2021 ' ' ILE . 0.0 OUTLIER -109.6 97.81 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.486 1.116 . . . . 74.04 109.321 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.7 ' HG ' HG13 ' A' 2019 ' ' VAL . 0.0 OUTLIER -176.86 -158.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 74.42 109.283 -179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.512 ' O ' ' N ' ' A' 2026 ' ' MET . 9.9 m0 -43.95 -52.38 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 73.12 108.053 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.548 ' H ' HD22 ' A' 2022 ' ' LEU . 17.8 m170 -44.07 -37.49 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.517 1.135 . . . . 74.42 109.645 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' 2022 ' ' LEU . 0.8 OUTLIER -60.21 -36.32 77.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 54.24 110.266 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.987 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -71.4 -29.65 65.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 70.51 111.008 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.799 ' HH2' HD21 ' A' 2078 ' ' LEU . 79.3 m95 -71.94 -48.52 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.103 -1.073 . . . . 74.44 108.103 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.5 m170 -62.94 -59.48 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 63.13 109.608 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.2 tt0 -59.29 -46.45 88.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 71.24 110.3 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.16 -63.69 4.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 73.23 110.99 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.059 HD22 ' CG ' ' A' 2108 ' ' PHE . 4.3 tp -58.02 -30.39 66.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 0.81 . . . . 73.51 109.291 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.518 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -55.45 -46.81 76.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 72.14 110.318 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.518 ' N ' ' HG2' ' A' 2032 ' ' GLU . 1.3 tt0 -73.01 -50.51 22.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 64.14 110.34 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.801 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -56.3 -48.9 75.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 75.23 109.283 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 13.0 t -57.64 -43.33 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.42 1.075 . . . . 44.13 110.032 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.444 ' O ' ' CA ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -59.35 -34.99 73.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 73.13 110.205 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.801 HD12 ' HA ' ' A' 2034 ' ' ALA . 2.6 mt -70.22 -35.09 73.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 63.22 109.303 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' 2044 ' ' VAL . 69.1 t80 -82.28 -55.9 4.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 45.22 111.01 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -73.13 -47.64 42.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 63.43 111.08 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -67.35 -57.98 8.53 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.42 1.075 . . . . 23.15 111.007 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' 2037 ' ' LEU . 2.0 mt-10 -111.09 -178.82 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.698 0.881 . . . . 74.35 110.272 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -110.52 27.83 9.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 74.12 110.228 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.475 ' CA ' ' HD3' ' A' 2045 ' ' LYS . 28.6 m-20 -113.16 94.61 4.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 63.23 109.28 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 1.029 HG11 HD11 ' A' 2097 ' ' LEU . 14.4 t -67.9 -19.65 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 72.1 109.231 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.475 ' HD3' ' CA ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.77 -40.58 55.29 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.533 1.146 . . . . 70.44 109.332 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.761 ' O ' HG23 ' A' 2050 ' ' VAL . . . -52.26 -52.94 33.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.625 1.203 . . . . 74.51 110.981 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.56 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 11.4 tmm? -56.77 -52.88 63.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 70.24 111.028 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.664 ' CD2' ' CE ' ' A' 2089 ' ' MET . 5.9 m-85 -51.38 -46.08 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 61.22 111.068 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.557 ' O ' ' CD ' ' A' 2053 ' ' PRO . 8.4 pt-20 -73.2 -14.54 61.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 75.13 110.344 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' 2046 ' ' GLY . 24.1 t -87.68 -43.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 75.31 109.361 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.82 HD23 ' N ' ' A' 2051 ' ' LEU . 0.4 OUTLIER -78.01 -39.21 42.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 74.11 109.301 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -42.59 -55.08 7.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 54.33 110.328 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.572 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.2 Cg_endo -75.0 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.657 1.872 . . . . 65.44 110.975 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.987 HD22 ' SD ' ' A' 2026 ' ' MET . 43.8 mt -48.96 -55.42 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 64.54 109.32 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.6 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 35.1 m170 -60.6 -53.04 62.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 75.03 109.526 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.95 -49.73 59.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 70.13 109.269 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.547 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.38 -38.48 53.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 52.01 111.013 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.658 ' HE3' ' HE3' ' A' 2026 ' ' MET . 0.0 OUTLIER -70.26 -30.02 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 75.43 110.99 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.413 ' N ' ' CD ' ' A' 2059 ' ' GLU . 5.2 mm-40 -77.77 -63.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 54.51 110.258 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.9 ptm180 -72.73 -21.77 60.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 71.3 110.272 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.547 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -115.83 83.68 0.34 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.439 1.087 . . . . 50.14 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.96 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.778 . . . . 71.44 111.027 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 16.6 tp60 -144.76 -71.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 73.44 110.233 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 5.3 t -162.2 175.79 11.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 72.12 110.417 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -39.72 69.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 72.04 109.278 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -57.37 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 64.04 109.271 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 1.7 tp10 -63.63 -31.81 73.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 74.42 110.298 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 29.6 m -54.79 -32.61 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.393 1.058 . . . . 74.43 110.379 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -42.41 59.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 44.22 109.97 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.495 ' CE1' ' CE2' ' A' 2074 ' ' TYR . 48.5 t80 -62.81 -53.06 60.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 41.34 110.946 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.72 -29.83 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 72.12 109.277 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -77.41 -53.88 7.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 72.23 110.321 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -52.63 -32.85 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.53 109.324 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.836 ' CD2' HG13 ' A' 2107 ' ' VAL . 3.0 m-85 -90.92 -30.8 16.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 72.34 111.113 179.874 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . . . . . . . . . . . -42.46 -27.85 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 73.41 110.961 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -44.28 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 0.805 . . . . 75.15 110.294 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' 2074 ' ' TYR . 48.0 m-20 -67.09 -55.09 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 75.33 109.304 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.799 HD21 ' HH2' ' A' 2027 ' ' TRP . 4.5 mp -52.39 -43.87 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 73.55 109.249 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 6.4 ttm -56.05 -50.76 70.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 74.43 110.996 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.504 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.2 tt0 -65.62 -49.23 69.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 74.43 110.361 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . . . . . . . . . . . -55.85 -42.14 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.435 1.084 . . . . 73.43 109.381 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' 2085 ' ' CYS . 0.9 OUTLIER -61.27 -36.98 81.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 62.12 110.302 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.499 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 73.41 110.294 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.85 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.0 m95 -74.86 -24.12 58.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 75.22 107.963 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 0.1 OUTLIER -66.44 -58.86 4.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 42.52 108.24 -179.895 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.499 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.6 OUTLIER -62.09 -28.44 69.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.615 1.197 . . . . 73.23 110.27 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.498 ' N ' ' HG2' ' A' 2086 ' ' ARG . 1.1 mttt -61.66 -50.59 71.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 73.34 109.27 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.584 ' CE2' HD12 ' A' 2097 ' ' LEU . 0.5 OUTLIER -71.16 -42.57 68.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 75.13 111.04 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.664 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 1.5 mtt -55.46 -36.28 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 53.41 110.953 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -56.82 2.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 62.42 109.326 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.2 t -63.0 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 63.3 110.027 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 97.4 82.98 1.67 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 65.22 110.97 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.5 t30 -162.59 113.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 75.03 109.328 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.3 t -52.46 -28.41 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 61.15 109.294 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -53.06 47.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.33 109.356 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.2 -34.62 78.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 72.2 109.232 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 1.029 HD11 HG11 ' A' 2044 ' ' VAL . 0.3 OUTLIER -65.41 -44.52 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 63.41 109.304 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.7 m -59.53 -52.32 66.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 70.42 110.438 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . 0.404 ' O ' HD12 ' A' 2103 ' ' LEU . 1.1 mm-40 -52.77 -49.15 66.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 71.24 110.271 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -57.89 -48.17 80.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 60.53 109.246 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.56 -32.98 70.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 74.11 108.058 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -51.58 69.0 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.621 1.201 . . . . 75.4 109.278 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.504 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.8 mp -56.18 -52.86 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 54.33 109.279 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.525 ' CE1' ' CE1' ' A' 2055 ' ' HIS . 6.8 m-85 -57.31 -46.04 83.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.2 110.916 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -49.96 -45.9 51.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.54 110.978 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -63.47 -42.55 98.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 43.3 109.59 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.836 HG13 ' CD2' ' A' 2074 ' ' TYR . 2.1 t -60.35 -55.62 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 71.31 109.265 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.059 ' CG ' HD22 ' A' 2031 ' ' LEU . 12.7 m-85 -69.11 -27.21 65.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 63.33 111.08 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' 2105 ' ' TYR . 34.3 ttm-85 -77.04 -25.13 52.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.14 110.254 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . 0.445 ' HB3' ' OH ' ' A' 2074 ' ' TYR . 0.0 OUTLIER -78.45 -51.08 10.53 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.389 1.056 . . . . 71.42 110.266 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.51 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 13.0 pt -42.44 -29.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 71.54 109.304 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' 2110 ' ' ARG . 70.3 p -91.94 -50.1 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 73.45 110.01 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.83 167.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 60.31 109.321 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.129 . . . . 75.43 110.271 -179.977 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.493 0.187 . . . . 73.13 110.982 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.62 -15.03 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 73.15 110.237 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 70.2 7.82 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.621 1.201 . . . . 73.52 109.29 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 3.5 mp 61.82 141.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 74.13 109.267 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -120.3 130.55 54.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 71.15 110.245 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' 2020 ' ' PRO . 65.1 t -131.38 142.51 45.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.404 1.065 . . . . 62.12 109.245 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.3 Cg_endo -75.02 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.438 1.757 . . . . 75.12 110.992 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.682 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -100.91 100.9 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 62.22 109.259 -179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' 2021 ' ' ILE . 0.2 OUTLIER -177.44 -157.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 63.13 109.329 179.93 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.616 ' CZ3' ' CG ' ' A' 2067 ' ' GLU . 3.8 m0 -66.57 -54.0 28.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 72.34 107.985 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 6.6 m80 -45.63 -24.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 64.24 109.561 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' 2023 ' ' TRP . 1.1 tt0 -69.94 -36.12 75.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.178 . . . . 73.01 110.253 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.525 ' N ' ' O ' ' A' 2023 ' ' TRP . 0.0 OUTLIER -75.79 -32.12 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.12 110.984 -179.958 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.639 ' CH2' HD21 ' A' 2078 ' ' LEU . 63.2 m95 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.33 108.056 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -58.7 4.51 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.125 . . . . 75.41 109.548 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' 2032 ' ' GLU . 0.7 OUTLIER -62.66 -44.68 95.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.602 1.189 . . . . 71.42 110.377 179.931 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -52.15 -64.36 4.06 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.523 1.139 . . . . 61.05 111.033 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.093 HD22 ' CD2' ' A' 2108 ' ' PHE . 5.0 tp -58.15 -29.64 65.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 70.14 109.296 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' 2029 ' ' GLU . 1.8 tm-20 -53.17 -52.15 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 62.31 110.322 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.84 -51.27 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 74.53 110.285 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.891 ' HB1' ' HG3' ' A' 2047 ' ' MET . . . -53.42 -49.44 67.31 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.319 1.012 . . . . 60.1 109.228 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.466 ' OG ' ' CD1' ' A' 2039 ' ' PHE . 19.0 t -61.4 -42.02 98.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 73.4 110.089 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.495 ' O ' ' CA ' ' A' 2040 ' ' GLY . 48.4 ttt85 -55.1 -36.85 66.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.065 . . . . 73.23 110.374 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.637 HD23 ' CB ' ' A' 2042 ' ' ARG . 4.9 mt -71.52 -39.68 70.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 74.32 109.305 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -75.19 -56.53 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 72.53 111.027 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . 0.466 ' CD1' ' OG ' ' A' 2035 ' ' SER . 41.0 m-85 -74.41 -47.18 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 64.33 110.982 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' 2036 ' ' ARG . . . -78.98 -2.1 86.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.575 1.172 . . . . 64.22 111.095 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' 2042 ' ' ARG . 9.7 tt0 59.91 142.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.463 0.743 . . . . 72.24 110.329 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.637 ' CB ' HD23 ' A' 2037 ' ' LEU . 0.0 OUTLIER 172.62 -57.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.449 1.093 . . . . 75.23 110.276 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' 2046 ' ' GLY . 0.1 OUTLIER 170.16 109.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 75.14 109.305 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' 2048 ' ' PHE . 2.4 t -46.53 -31.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -55.26 -34.34 63.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 75.44 109.276 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.582 ' HA3' HD13 ' A' 2037 ' ' LEU . . . -57.41 -55.08 32.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 74.14 110.969 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.891 ' HG3' ' HB1' ' A' 2034 ' ' ALA . 24.4 ttp -54.64 -54.8 36.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 0.732 . . . . 74.3 111.052 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.699 ' CD2' ' HE3' ' A' 2089 ' ' MET . 9.3 m-85 -52.46 -36.93 55.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 70.42 110.973 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.55 ' O ' ' CD ' ' A' 2053 ' ' PRO . 22.7 mt-10 -76.59 -16.19 59.65 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.472 1.107 . . . . 73.25 110.27 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.666 HG12 HD23 ' A' 2051 ' ' LEU . 2.6 t -86.15 -41.93 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 71.03 109.307 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' 2051 ' ' LEU . 0.1 OUTLIER -78.1 -44.6 25.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 64.43 109.33 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -37.3 -54.74 1.95 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 75.31 110.374 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.559 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.1 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 51.14 110.959 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.519 ' CD1' ' HA3' ' A' 2030 ' ' GLY . 19.6 mt -49.07 -57.73 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.42 109.345 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' 2051 ' ' LEU . 38.4 m170 -59.53 -50.45 73.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 73.5 109.593 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' 2052 ' ' GLU . . . -52.57 -47.07 67.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 74.52 109.216 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.525 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.71 -39.78 58.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.447 1.092 . . . . 75.12 110.953 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.612 ' CE ' ' CG ' ' A' 2023 ' ' TRP . 3.6 mmt -70.32 -30.27 67.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 72.14 110.916 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.08 -63.14 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 73.34 110.306 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' 2056 ' ' ALA . 13.5 ptt180 -74.74 -16.01 60.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 74.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -122.2 74.19 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 70.31 110.971 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 64.1 110.989 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.16 -70.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.377 1.048 . . . . 71.01 110.324 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' 2066 ' ' LYS . 6.8 t -171.91 170.82 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 75.31 110.382 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -29.34 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 64.04 109.309 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . 0.586 ' HB2' HG23 ' A' 2064 ' ' THR . 13.7 mtpt -68.49 -37.51 80.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 74.33 109.205 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.616 ' CG ' ' CZ3' ' A' 2023 ' ' TRP . 2.6 tp10 -85.42 -21.33 28.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 73.04 110.294 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 15.3 m -55.41 -32.17 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 64.23 110.435 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -33.44 73.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.627 1.204 . . . . 74.25 110.002 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 42.1 t80 -66.73 -53.27 35.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 70.31 111.063 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.544 ' O ' ' CA ' ' A' 2075 ' ' GLY . 3.8 t30 -62.39 -30.21 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 73.51 109.263 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -79.17 -49.97 11.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 71.41 110.302 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.81 -54.16 3.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 73.42 109.387 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.662 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 17.8 m-85 -93.32 -19.81 20.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 72.01 110.953 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.544 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -39.46 -30.26 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 72.31 111.03 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.6 OUTLIER -80.92 -44.74 17.82 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.513 0.772 . . . . 74.23 110.252 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' 2074 ' ' TYR . 23.5 m-20 -61.03 -58.96 6.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.353 1.033 . . . . 60.13 109.269 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.639 HD21 ' CH2' ' A' 2027 ' ' TRP . 8.6 mp -50.93 -44.53 60.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 44.41 109.198 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.2 mtt -50.83 -49.46 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.32 110.992 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 15.6 tt0 -71.93 -47.42 52.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.15 110.297 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.5 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -54.88 -42.66 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 31.12 109.318 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' A' 2085 ' ' CYS . 3.9 tt0 -64.9 -37.48 87.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 70.32 110.317 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' 2084 ' ' TRP . 0.0 OUTLIER -62.68 -39.61 94.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 51.44 110.253 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.449 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 99.0 m95 -69.28 -34.03 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.934 -1.135 . . . . 74.23 107.934 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.606 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 1.8 t -58.29 -56.59 20.13 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 65.04 108.337 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -40.01 71.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 74.22 110.271 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' 2091 ' ' SER . 1.6 mtpp -57.67 -46.71 83.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 64.14 109.277 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.535 ' CZ ' HD22 ' A' 2097 ' ' LEU . 7.2 t80 -73.37 -34.31 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 72.42 111.056 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.699 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.7 mtt -65.13 -35.32 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 71.23 110.931 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -56.96 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 73.33 109.232 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' 2087 ' ' LYS . 2.9 t -62.97 -64.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 54.4 109.991 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' 2088 ' ' TYR . . . 97.89 79.3 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 55.5 111.033 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.93 109.56 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 0.747 . . . . 73.54 109.341 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.6 t -48.19 -35.59 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.624 1.202 . . . . 74.24 109.258 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 9.4 tttp -49.66 -52.25 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 1.137 . . . . 61.44 109.216 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.3 109.326 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.535 HD22 ' CZ ' ' A' 2088 ' ' TYR . 11.8 tp -63.74 -47.88 79.28 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 75.03 109.292 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 25.8 m -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 75.2 110.368 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -47.18 85.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 74.35 110.324 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -61.2 -41.88 97.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 63.3 109.341 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.463 ' NE1' ' SD ' ' A' 2047 ' ' MET . 1.9 m95 -60.74 -41.04 94.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.961 -1.125 . . . . 74.13 107.961 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -50.2 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 73.43 109.278 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 4.9 mp -54.23 -54.18 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 63.21 109.328 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.566 ' O ' HG22 ' A' 2107 ' ' VAL . 11.8 m-85 -54.99 -57.75 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 63.21 111.074 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -50.04 -33.33 17.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 73.23 111.024 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -52.99 59.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 72.42 109.541 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.662 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 1.4 m -68.67 -45.35 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 74.23 109.271 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.093 ' CD2' HD22 ' A' 2031 ' ' LEU . 14.4 m-85 -64.51 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 54.12 111.038 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.55 ' CB ' ' O ' ' A' 2105 ' ' TYR . 5.3 ttm-85 -78.01 -34.33 50.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 72.14 110.3 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.12 -51.41 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 75.23 110.289 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.531 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 18.1 pt -44.73 -38.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 72.13 109.288 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' 2113 ' ' LYS . 0.1 OUTLIER -82.94 -53.23 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 71.45 109.993 -179.922 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' 2112 ' ' SER . 0.0 OUTLIER -39.93 133.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 71.1 109.28 179.936 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.31 110.246 179.981 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.369 0.128 . . . . 74.4 110.952 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.56 -6.23 10.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.622 1.201 . . . . 74.33 110.299 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.51 164.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 75.31 109.24 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 12.0 tt -41.54 145.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 72.32 109.337 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' 2019 ' ' VAL . 5.1 ttp85 -129.75 121.25 26.49 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.491 1.119 . . . . 72.42 110.284 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.79 HG13 ' HD2' ' A' 2020 ' ' PRO . 52.2 t -39.99 144.57 0.52 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 71.4 109.318 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.79 ' HD2' HG13 ' A' 2019 ' ' VAL . 18.8 Cg_endo -75.03 -69.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.472 1.775 . . . . 70.34 111.062 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 1.5 pp -91.67 121.3 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 75.34 109.368 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' 2024 ' ' HIS . 0.0 OUTLIER -163.85 172.34 14.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 73.11 109.269 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.638 ' CG ' ' HE1' ' A' 2058 ' ' MET . 4.8 m0 -48.29 -50.7 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 72.55 108.025 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.62 ' N ' HD23 ' A' 2022 ' ' LEU . 1.4 m170 -44.51 -25.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 70.45 109.579 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' 2022 ' ' LEU . 3.9 tp10 -70.07 -36.7 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 71.32 110.259 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.655 ' SD ' ' CD1' ' A' 2027 ' ' TRP . 0.0 OUTLIER -70.56 -39.01 74.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 74.23 111.018 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.717 ' CH2' HD21 ' A' 2078 ' ' LEU . 41.7 m95 -65.94 -46.29 78.71 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.958 -1.127 . . . . 75.5 107.958 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -58.49 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 71.3 109.641 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.36 -42.67 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.412 1.07 . . . . 62.15 110.345 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.48 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -51.68 -64.47 3.88 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.43 1.081 . . . . 74.34 110.965 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 0.876 HD11 ' CG ' ' A' 2108 ' ' PHE . 4.9 mt -56.32 -32.16 64.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 73.42 109.278 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -53.88 40.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 65.05 110.326 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.62 -48.0 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 71.21 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -52.47 -49.13 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 71.34 109.329 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' 2031 ' ' LEU . 8.0 t -60.69 -48.21 82.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 61.52 109.97 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' 2040 ' ' GLY . 1.1 ttt-85 -50.99 -34.76 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 63.33 110.342 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.776 HD13 ' C ' ' A' 2046 ' ' GLY . 2.0 mt -71.44 -49.47 41.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 75.15 109.384 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.624 ' HD1' HG12 ' A' 2044 ' ' VAL . 85.3 t80 -54.68 -55.35 30.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 70.32 110.991 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -74.78 -31.52 61.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 62.51 110.952 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -50.14 -69.07 1.16 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.512 1.133 . . . . 63.12 110.972 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' 2042 ' ' ARG . 0.0 OUTLIER -145.18 53.89 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 0.821 . . . . 72.24 110.403 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' 2041 ' ' GLU . 10.8 mmt85 35.76 40.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.08 . . . . 72.21 110.29 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.41 ' HA ' ' HD3' ' A' 2045 ' ' LYS . 22.6 m-20 -109.29 88.59 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 60.14 109.321 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.915 HG21 HD11 ' A' 2097 ' ' LEU . 34.1 m -70.43 -16.64 20.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.513 1.133 . . . . 74.13 109.237 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' 2043 ' ' ASN . 0.0 OUTLIER -50.56 -45.23 56.92 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.525 1.141 . . . . 73.05 109.274 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.776 ' C ' HD13 ' A' 2037 ' ' LEU . . . -52.82 -54.05 30.18 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.142 . . . . 51.43 110.944 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.615 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 7.3 tmm? -52.83 -52.21 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 54.31 111.057 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.585 ' CD2' ' HE3' ' A' 2089 ' ' MET . 10.5 m-85 -51.95 -40.93 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 71.33 111.049 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.546 ' O ' ' CD ' ' A' 2053 ' ' PRO . 27.1 mt-10 -76.69 -15.33 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 75.51 110.333 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.569 ' C ' ' HD2' ' A' 2053 ' ' PRO . 5.9 t -87.43 -43.26 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 65.41 109.302 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.842 HD23 ' N ' ' A' 2051 ' ' LEU . 0.3 OUTLIER -77.21 -39.58 48.14 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.399 1.062 . . . . 65.23 109.356 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.2 OUTLIER -41.93 -55.72 5.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 75.01 110.293 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.569 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.6 Cg_endo -74.9 -50.78 0.13 Allowed 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.512 1.796 . . . . 71.42 111.05 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.615 HD22 ' CG ' ' A' 2026 ' ' MET . 13.8 mt -49.02 -55.3 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 72.4 109.301 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 61.6 m170 -60.74 -53.7 54.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 73.21 109.628 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -49.63 -48.79 48.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 64.53 109.266 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.524 ' O ' ' CA ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -52.44 -39.99 61.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 65.25 110.985 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.638 ' HE1' ' CG ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -70.39 -28.15 64.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 72.11 111.062 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' 2055 ' ' HIS . 2.3 mm-40 -77.19 -63.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 71.13 110.37 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -74.92 -20.87 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 74.43 110.291 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -116.13 80.5 0.3 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.578 1.174 . . . . 71.24 111.013 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.513 1.796 . . . . 73.25 111.031 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.412 ' CB ' ' HG3' ' A' 2067 ' ' GLU . 0.0 OUTLIER -139.91 -62.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.684 1.24 . . . . 73.52 110.264 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' 2067 ' ' GLU . 1.1 t 179.59 169.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 44.2 110.393 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -50.96 -28.61 10.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 74.25 109.425 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 12.8 tttp -70.1 -35.07 73.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 64.45 109.33 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' 2064 ' ' THR . 15.0 mm-40 -86.92 -19.43 28.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.48 1.112 . . . . 62.21 110.278 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . . . . . . . . . 17.5 m -57.9 -29.62 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 64.54 110.32 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 88.3 p -74.87 -34.22 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.368 1.043 . . . . 73.23 109.963 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.555 ' HE2' HG22 ' A' 2111 ' ' ILE . 41.3 t80 -66.29 -46.35 77.29 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 73.34 110.912 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' 2075 ' ' GLY . 36.3 t30 -73.22 -27.86 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.31 109.361 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.78 -54.53 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.04 110.28 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.27 -42.87 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 74.01 109.305 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.624 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 16.8 m-85 -99.71 -18.92 17.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 75.22 111.0 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -40.7 -29.54 0.27 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 74.04 111.028 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' 2074 ' ' TYR . 1.8 ttm180 -77.74 -46.25 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 0.724 . . . . 75.32 110.396 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.59 ' HB2' HG11 ' A' 2107 ' ' VAL . 18.1 m-20 -62.94 -57.07 12.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.23 109.336 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.717 HD21 ' CH2' ' A' 2027 ' ' TRP . 10.0 mp -51.3 -45.55 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.641 1.213 . . . . 75.42 109.341 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 16.9 mmm -51.0 -51.15 55.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 75.01 110.994 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 25.2 tt0 -71.57 -48.76 46.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.32 110.353 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.15 -42.29 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 70.33 109.325 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.65 -40.03 95.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.628 1.205 . . . . 73.4 110.323 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.589 ' HA ' ' CD ' ' A' 2086 ' ' ARG . 0.0 OUTLIER -58.16 -39.6 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 64.21 110.348 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.644 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 97.2 m95 -71.58 -31.46 66.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 73.41 107.999 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.468 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 9.2 t -68.6 -59.45 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 54.04 108.287 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.589 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 0.2 OUTLIER -62.01 -35.64 79.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 63.42 110.324 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -67.12 -31.57 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 74.14 109.254 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' 2088 ' ' TYR . 0.2 OUTLIER -78.73 -32.41 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 64.52 111.08 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.585 ' HE3' ' CD2' ' A' 2048 ' ' PHE . 1.8 mtt -71.98 -33.96 68.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 73.44 110.983 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -21.44 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 74.21 109.122 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . . . . . . . . . 22.9 t -112.97 -75.19 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 72.33 109.953 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 110.23 110.61 3.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.448 1.092 . . . . 73.24 110.876 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -170.26 113.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.402 0.707 . . . . 61.33 109.305 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' 2095 ' ' LYS . 1.4 p -53.63 -44.28 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 65.12 109.352 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . 0.409 ' N ' ' CG1' ' A' 2094 ' ' VAL . 0.0 OUTLIER -49.1 -47.06 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 62.2 109.299 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . 0.539 ' OD2' ' C ' ' A' 2096 ' ' ASP . 0.0 OUTLIER -64.01 -40.16 95.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 71.55 109.293 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.915 HD11 HG21 ' A' 2044 ' ' VAL . 0.8 OUTLIER -57.72 -47.28 82.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 75.23 109.294 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 17.9 m -59.89 -43.79 94.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.64 1.213 . . . . 61.41 110.372 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -49.3 78.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 73.03 110.385 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -58.9 -50.12 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 70.13 109.34 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.642 ' HZ3' HD13 ' A' 2031 ' ' LEU . 0.2 OUTLIER -58.2 -32.01 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.114 . . . . 74.22 107.991 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.18 -51.68 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 60.21 109.323 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.58 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.4 mp -54.06 -52.86 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.354 1.034 . . . . 75.54 109.302 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.519 ' O ' HG22 ' A' 2107 ' ' VAL . 10.3 m-85 -54.89 -56.37 20.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 73.35 111.041 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.566 ' O ' ' CB ' ' A' 2109 ' ' ARG . 0.2 OUTLIER -47.56 -35.63 9.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 75.24 111.038 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -54.68 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 74.22 109.602 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.688 HG21 HD11 ' A' 2078 ' ' LEU . 1.4 m -67.98 -48.43 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.188 . . . . 73.12 109.348 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.876 ' CG ' HD11 ' A' 2031 ' ' LEU . 19.4 m-85 -60.75 -29.34 69.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 71.31 111.059 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.566 ' CB ' ' O ' ' A' 2105 ' ' TYR . 2.7 ttm180 -74.23 -38.67 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 72.02 110.362 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -63.78 -51.38 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 61.14 110.293 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.555 HG22 ' HE2' ' A' 2070 ' ' PHE . 23.5 pt -48.0 -31.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 54.14 109.324 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . 0.444 ' C ' ' N ' ' A' 2114 ' ' GLN . 29.9 t -88.28 -59.48 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 53.12 109.965 -179.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.43 -29.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.176 . . . . 62.5 109.279 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' 2112 ' ' SER . 2.7 tp60 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.558 1.161 . . . . 62.23 110.219 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.678 0.275 . . . . 73.13 111.002 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.65 -3.64 10.32 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.347 1.029 . . . . 61.31 110.331 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 139.13 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 75.04 109.408 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.752 HG22 ' N ' ' A' 2018 ' ' ARG . 1.3 mt 65.9 -84.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 74.22 109.337 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.752 ' N ' HG22 ' A' 2017 ' ' ILE . 0.1 OUTLIER -47.19 103.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 73.51 110.328 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.571 HG11 HD12 ' A' 2022 ' ' LEU . 2.5 p -40.61 128.45 1.85 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.583 1.177 . . . . 74.05 109.284 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.445 ' HA ' ' HG2' ' A' 2025 ' ' GLU . 18.7 Cg_endo -74.87 -36.96 2.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.767 . . . . 74.23 111.076 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . . . . . . . . . 6.8 mm -86.77 80.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.187 . . . . 64.3 109.429 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.67 HD22 ' CE1' ' A' 2024 ' ' HIS . 0.5 OUTLIER 179.31 147.52 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 73.32 109.272 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.64 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.4 m0 -53.51 -44.69 69.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 71.2 108.034 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.67 ' CE1' HD22 ' A' 2022 ' ' LEU . 4.7 m80 -48.2 -23.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 63.52 109.593 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.445 ' HG2' ' HA ' ' A' 2020 ' ' PRO . 22.4 tp10 -68.42 -34.26 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 52.21 110.289 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.746 ' CG ' HD22 ' A' 2054 ' ' LEU . 0.4 OUTLIER -78.36 -33.67 48.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 75.54 110.954 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.934 ' CH2' HD11 ' A' 2078 ' ' LEU . 6.1 m95 -74.83 -37.03 62.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 75.23 107.981 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' 2029 ' ' GLU . 0.8 OUTLIER -68.22 -58.92 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 74.21 109.613 179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.45 ' N ' ' CD2' ' A' 2028 ' ' HIS . 8.1 pt-20 -68.79 -30.12 68.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 70.34 110.378 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . . . . . . . . . . . -60.33 -64.55 4.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 71.52 110.899 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 0.997 HD22 ' CH2' ' A' 2101 ' ' TRP . 5.4 mt -61.59 -32.04 72.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 75.31 109.311 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' 2036 ' ' ARG . 0.0 OUTLIER -53.68 -49.41 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.363 1.04 . . . . 73.03 110.367 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' 2033 ' ' GLU . 0.0 OUTLIER -78.67 -44.6 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.628 1.205 . . . . 74.35 110.373 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.494 ' HB1' ' CB ' ' A' 2047 ' ' MET . . . -58.13 -43.27 87.15 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.473 1.108 . . . . 60.13 109.383 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' 2031 ' ' LEU . 59.5 p -77.14 -46.72 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 71.15 110.113 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' 2032 ' ' GLU . 1.3 tmt_? -51.97 -45.87 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 73.4 110.27 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.592 HD21 ' C ' ' A' 2046 ' ' GLY . 1.6 pp -71.5 -44.8 64.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 71.34 109.266 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' 2034 ' ' ALA . 38.9 t80 -53.23 -53.31 52.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 71.52 110.938 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . 0.401 ' CD1' ' HD2' ' A' 2038 ' ' TYR . 12.4 m-85 -71.03 -33.62 70.51 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.482 1.114 . . . . 74.32 110.948 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . . . . . . . . . . . -71.64 -30.91 65.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.573 1.171 . . . . 72.31 111.011 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' 2037 ' ' LEU . 0.7 OUTLIER -153.52 141.72 20.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 0.79 . . . . 65.14 110.313 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.85 58.35 0.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 73.15 110.299 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 3.0 m120 -121.76 82.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 75.11 109.291 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.866 HG12 ' CE2' ' A' 2048 ' ' PHE . 40.9 t -62.2 -13.17 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 51.11 109.327 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -39.17 74.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.41 109.336 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.592 ' C ' HD21 ' A' 2037 ' ' LEU . . . -56.06 -56.82 22.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 62.21 111.059 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.68 ' CE ' HG13 ' A' 2044 ' ' VAL . 0.1 OUTLIER -59.52 -41.58 90.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 63.23 110.98 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.866 ' CE2' HG12 ' A' 2044 ' ' VAL . 3.0 m-30 -61.77 -41.65 97.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 74.22 111.04 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.566 ' O ' ' CD ' ' A' 2053 ' ' PRO . 6.7 pt-20 -74.08 -13.47 60.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 73.42 110.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.617 HG12 HD23 ' A' 2051 ' ' LEU . 9.3 t -83.12 -46.98 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 72.22 109.213 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -77.76 -42.73 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 74.34 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.0 OUTLIER -36.06 -53.86 1.5 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 73.4 110.273 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.4 Cg_endo -74.96 -51.81 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.436 1.756 . . . . 70.45 111.031 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.746 HD22 ' CG ' ' A' 2026 ' ' MET . 20.3 mt -47.76 -54.6 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 41.45 109.339 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.418 ' CD2' HD13 ' A' 2078 ' ' LEU . 41.8 m170 -62.01 -46.94 87.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 75.23 109.563 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . . . . . . . . . . . -54.96 -48.67 72.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.34 109.329 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -38.38 58.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 61.33 110.994 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.64 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.4 OUTLIER -65.12 -45.86 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 73.34 111.005 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.82 -62.4 1.83 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 61.25 110.264 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -33.85 76.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.372 1.045 . . . . 64.22 110.289 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . . . . . . . . . . . -124.73 89.34 0.39 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.409 1.068 . . . . 61.55 111.029 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.448 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.3 Cg_endo -74.98 -94.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 74.24 110.94 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.51 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER 177.32 -82.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 73.14 110.313 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.51 HG23 ' O ' ' A' 2063 ' ' GLN . 0.9 OUTLIER -154.28 -169.06 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 63.22 110.406 -179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' 2068 ' ' THR . 0.2 OUTLIER -69.71 -27.18 64.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 64.41 109.296 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 17.2 tttt -77.83 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 60.25 109.305 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 3.1 tp10 -54.08 -19.94 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 64.14 110.252 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' 2065 ' ' LEU . 0.8 OUTLIER -54.52 -26.63 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 71.11 110.382 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -40.06 64.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 71.12 110.041 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . . . . . . . . . 38.5 t80 -63.51 -50.75 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.14 110.974 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.555 ' O ' ' CA ' ' A' 2075 ' ' GLY . 42.1 t-20 -64.6 -28.79 69.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 73.32 109.312 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -78.35 -51.13 10.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 73.04 110.273 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -42.5 -51.8 4.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.643 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 24.8 m-85 -96.03 -12.56 24.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 71.15 111.023 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.555 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -40.3 -49.06 3.72 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.482 1.114 . . . . 63.11 110.967 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -46.33 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 0.797 . . . . 73.14 110.204 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -50.28 -59.38 4.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 71.45 109.346 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.934 HD11 ' CH2' ' A' 2027 ' ' TRP . 66.0 mt -54.2 -36.41 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 64.04 109.276 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.36 95.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 74.24 110.977 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 9.1 tt0 -63.5 -56.22 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 63.12 110.297 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.463 ' HB3' ' CE1' ' A' 2104 ' ' TYR . . . -52.72 -43.58 65.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 73.01 109.249 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.41 -42.31 86.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 75.02 110.334 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.39 79.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 63.24 110.208 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.801 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.5 m95 -69.01 -32.61 72.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.24 108.041 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . . . . . . . . . 55.8 m -60.13 -57.72 11.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 54.02 108.328 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -57.98 -37.58 74.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 44.45 110.337 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.1 OUTLIER -62.76 -33.89 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.4 109.275 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.86 ' CE2' HD12 ' A' 2097 ' ' LEU . 3.0 t80 -78.26 -47.07 18.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 73.4 110.911 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 3.7 mtt -58.21 -31.29 67.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 75.13 110.95 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.09 -56.12 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 75.42 109.347 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.7 t -71.53 -64.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 75.01 109.968 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 96.67 90.26 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 52.42 110.962 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.41 124.5 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.53 109.316 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 3.7 p -63.9 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 71.42 109.289 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.25 -52.0 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 74.22 109.358 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . 0.459 ' CB ' ' HE2' ' A' 2087 ' ' LYS . 0.0 OUTLIER -67.36 -36.03 80.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 74.22 109.293 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.86 HD12 ' CE2' ' A' 2088 ' ' TYR . 2.1 tt -62.06 -45.73 92.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 72.22 109.35 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.5 m -60.51 -47.1 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.05 110.41 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -50.22 66.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 72.22 110.326 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.801 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -56.61 -46.32 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 52.54 109.262 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.997 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -60.62 -35.19 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 73.25 108.101 179.921 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -49.13 77.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 61.25 109.246 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' 2080 ' ' GLU . 6.6 mp -58.62 -53.27 60.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 73.32 109.362 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.595 ' O ' HG22 ' A' 2107 ' ' VAL . 9.8 m-85 -54.83 -57.92 9.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 64.41 111.014 179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' 2109 ' ' ARG . 0.6 OUTLIER -49.27 -35.51 17.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 75.22 110.926 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . 0.499 ' O ' ' HG3' ' A' 2109 ' ' ARG . 0.2 OUTLIER -63.02 -48.07 80.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.204 . . . . 72.02 109.569 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.643 ' HB ' ' CD1' ' A' 2074 ' ' TYR . 2.7 m -76.73 -36.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.517 1.135 . . . . 73.1 109.28 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.75 ' CE1' ' HG ' ' A' 2031 ' ' LEU . 6.6 m-85 -70.03 -32.3 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 1.057 . . . . 72.11 110.92 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -82.45 -25.7 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 63.22 110.304 -179.946 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' 2109 ' ' ARG . 0.0 OUTLIER -72.95 -52.24 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 74.24 110.291 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' 2108 ' ' PHE . 4.3 pt -42.47 -28.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 70.3 109.336 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' 2110 ' ' ARG . 10.5 m -87.57 -53.97 4.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 20.32 109.968 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.28 161.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 62.31 109.312 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.38 1.05 . . . . 74.41 110.385 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.426 0.155 . . . . 74.23 110.916 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . 0.619 ' O ' HD12 ' A' 2016 ' ' LEU . 2.3 mm-40 -91.87 -33.91 14.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 72.34 110.287 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' 2015 ' ' GLU . 0.1 OUTLIER 169.85 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 74.32 109.351 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -46.13 -52.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 54.23 109.234 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' 2019 ' ' VAL . 0.2 OUTLIER -163.83 -176.71 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 72.04 110.324 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' 2022 ' ' LEU . 0.6 OUTLIER -111.87 126.65 28.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 62.11 109.342 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.477 ' HG2' HD13 ' A' 2021 ' ' ILE . 18.0 Cg_endo -75.11 -22.35 14.72 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.5 1.79 . . . . 72.53 110.919 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.477 HD13 ' HG2' ' A' 2020 ' ' PRO . 0.0 OUTLIER -111.62 78.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 74.42 109.401 179.888 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.509 ' HB2' HG22 ' A' 2019 ' ' VAL . 0.1 OUTLIER -168.97 -168.47 0.86 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.556 1.16 . . . . 73.25 109.306 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.622 ' CE3' ' SD ' ' A' 2058 ' ' MET . 7.4 m0 -61.18 -49.24 77.99 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.978 -1.119 . . . . 73.45 107.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 1.8 m170 -46.28 -24.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 73.55 109.577 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' 2020 ' ' PRO . 25.9 tp10 -68.74 -39.24 80.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.41 110.252 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.834 ' SD ' HD22 ' A' 2054 ' ' LEU . 0.0 OUTLIER -73.64 -31.31 63.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.329 1.018 . . . . 72.11 110.997 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.682 ' CH2' HD21 ' A' 2078 ' ' LEU . 56.9 m95 -67.68 -48.52 66.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 74.22 107.971 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -66.61 -43.86 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 53.32 109.518 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' 2025 ' ' GLU . 1.8 tt0 -64.86 -46.85 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 51.32 110.289 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.512 ' HA3' ' CD1' ' A' 2054 ' ' LEU . . . -53.11 -58.51 11.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 42.24 111.004 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 0.882 HD11 ' CG ' ' A' 2108 ' ' PHE . 3.6 mt -61.57 -32.28 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 0.732 . . . . 75.52 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -53.2 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 62.23 110.277 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -79.28 -50.34 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.21 110.219 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.568 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.16 -49.39 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 73.32 109.239 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' 2031 ' ' LEU . 14.5 p -70.4 -36.81 74.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 44.32 110.092 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -54.54 -52.66 61.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 72.34 110.34 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.548 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.6 pp -71.97 -41.13 68.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 72.51 109.268 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' 2047 ' ' MET . 34.3 t80 -59.34 -56.2 25.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.02 111.042 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' 2035 ' ' SER . 11.9 m-85 -68.8 -46.41 68.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.383 1.052 . . . . 74.43 110.926 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.633 ' O ' ' CB ' ' A' 2041 ' ' GLU . . . -66.79 -65.63 2.72 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.11 . . . . 52.45 110.947 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.633 ' CB ' ' O ' ' A' 2040 ' ' GLY . 15.8 tt0 149.25 133.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 75.31 110.382 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER 173.36 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 74.41 110.241 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.8 m-20 152.61 164.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 74.51 109.261 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.558 HG21 ' OH ' ' A' 2088 ' ' TYR . 4.5 m -83.63 -11.23 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 61.31 109.314 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -36.79 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 74.02 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.905 ' O ' HG23 ' A' 2050 ' ' VAL . . . -59.77 -56.15 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.546 1.154 . . . . 55.54 110.962 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' 2038 ' ' TYR . 0.5 OUTLIER -63.08 -38.8 92.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 0.732 . . . . 75.1 111.064 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' 2085 ' ' CYS . 3.5 m-85 -69.94 -40.74 75.32 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.463 1.102 . . . . 61.13 111.042 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.586 ' O ' ' CD ' ' A' 2053 ' ' PRO . 16.8 pt-20 -74.89 -13.26 60.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 74.41 110.306 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' 2046 ' ' GLY . 24.3 t -83.46 -45.68 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 60.13 109.254 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.633 ' N ' HD13 ' A' 2051 ' ' LEU . 0.0 OUTLIER -77.11 -44.61 29.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 74.54 109.316 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' 2053 ' ' PRO . 3.1 mt-10 -35.33 -55.61 1.06 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 55.41 110.3 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.586 ' CD ' ' O ' ' A' 2049 ' ' GLU . 18.4 Cg_endo -75.04 -49.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 53.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.834 HD22 ' SD ' ' A' 2026 ' ' MET . 15.9 mt -48.85 -56.66 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 72.11 109.285 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 41.3 m170 -60.15 -51.86 67.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 74.25 109.594 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -50.96 -48.56 60.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 54.34 109.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.526 ' HE2' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -51.37 -39.38 57.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 71.24 110.932 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.622 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 1.5 mmt -66.89 -34.11 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 61.32 111.055 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' 2055 ' ' HIS . 1.5 mm-40 -74.4 -63.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 72.33 110.288 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' 2056 ' ' ALA . 48.5 ptt85 -70.27 -18.21 63.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 74.21 110.289 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.43 77.29 0.29 Allowed Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.434 1.084 . . . . 65.02 111.091 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.2 Cg_endo -75.05 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.46 1.768 . . . . 72.51 110.968 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' 2064 ' ' THR . 0.0 OUTLIER -149.77 -77.33 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 63.51 110.372 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.548 HG23 ' O ' ' A' 2063 ' ' GLN . 3.2 p -156.16 -166.0 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 75.25 110.396 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' 2065 ' ' LEU . 0.2 OUTLIER -64.24 -26.95 68.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 75.42 109.186 -179.932 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -60.55 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 75.31 109.285 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' 2063 ' ' GLN . 0.5 OUTLIER -57.49 -30.68 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 74.42 110.198 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' 2072 ' ' GLN . 1.0 OUTLIER -54.34 -38.5 66.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.199 . . . . 71.42 110.427 -179.894 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -31.8 62.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 72.23 110.047 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.591 ' HE1' HG22 ' A' 2111 ' ' ILE . 74.9 t80 -69.13 -52.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 74.2 111.005 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.548 ' O ' ' CA ' ' A' 2075 ' ' GLY . 11.0 t30 -64.34 -29.69 70.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 75.31 109.312 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' 2068 ' ' THR . 17.7 mm-40 -79.66 -51.17 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 71.35 110.28 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -41.24 -50.58 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.182 . . . . 32.14 109.312 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.629 ' CD1' ' HB ' ' A' 2107 ' ' VAL . 19.3 m-85 -97.84 -14.66 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 74.51 110.963 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.548 ' CA ' ' O ' ' A' 2071 ' ' ASN . . . -43.13 -28.72 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.601 1.188 . . . . 74.34 110.953 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . 0.432 ' CG ' ' N ' ' A' 2077 ' ' ASP . 3.7 ptm85 -78.8 -45.48 20.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 0.804 . . . . 73.42 110.204 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.445 ' HB2' HG11 ' A' 2107 ' ' VAL . 13.4 m-20 -64.03 -56.39 15.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.388 1.055 . . . . 62.13 109.367 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.682 HD21 ' CH2' ' A' 2027 ' ' TRP . 10.3 mp -51.12 -44.82 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 74.52 109.32 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 34.9 mmm -53.45 -50.53 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 71.41 110.989 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . 0.507 ' HB3' ' CD2' ' A' 2103 ' ' LEU . 24.7 tt0 -71.1 -46.95 60.78 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.451 1.094 . . . . 72.13 110.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.64 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -53.7 -44.2 69.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 73.02 109.334 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -38.41 91.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 73.33 110.251 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' 2087 ' ' LYS . 0.0 OUTLIER -60.66 -36.9 79.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 74.33 110.38 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' A' 2100 ' ' ALA . 98.7 m95 -76.0 -25.32 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 71.02 107.999 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 2.4 t -71.11 -59.11 2.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 70.12 108.405 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . 0.487 ' CD ' ' HA ' ' A' 2083 ' ' GLU . 4.9 ptt180 -65.4 -28.81 69.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 73.43 110.313 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' 2083 ' ' GLU . 0.0 OUTLIER -69.03 -38.23 79.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 75.2 109.306 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.597 ' CD2' ' HB2' ' A' 2097 ' ' LEU . 0.1 OUTLIER -75.29 -38.07 60.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.583 1.177 . . . . 75.44 111.064 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . 0.457 ' CE ' ' CD2' ' A' 2048 ' ' PHE . 3.3 mtt -66.72 -34.22 77.36 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.583 1.177 . . . . 63.31 110.999 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -36.41 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 72.31 109.294 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.9 t -90.5 -71.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.094 . . . . 43.32 109.961 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 108.98 99.15 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 42.52 110.938 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -168.67 115.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 61.44 109.26 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 2.0 p -54.72 -39.96 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 62.32 109.35 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -52.41 -48.06 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 65.41 109.262 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . 0.418 ' OD2' ' CE ' ' A' 2087 ' ' LYS . 10.4 m-20 -67.69 -34.17 76.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 63.23 109.257 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.597 ' HB2' ' CD2' ' A' 2088 ' ' TYR . 37.7 tp -64.71 -50.01 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 61.13 109.314 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 4.9 m -59.8 -47.35 86.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 73.42 110.362 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -51.95 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 74.12 110.31 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' 2084 ' ' TRP . . . -53.69 -50.39 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 73.52 109.291 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.648 ' CZ3' HD13 ' A' 2031 ' ' LEU . 0.0 OUTLIER -58.66 -33.78 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 75.1 107.967 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -50.28 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 74.32 109.304 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.64 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 7.8 mp -55.8 -53.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.15 109.273 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.483 ' O ' HG22 ' A' 2107 ' ' VAL . 15.1 m-85 -57.95 -55.94 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 74.12 111.046 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.548 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.0 OUTLIER -49.14 -30.61 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.23 110.972 -179.906 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -69.22 -54.8 12.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 73.5 109.691 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.678 HG21 HD11 ' A' 2078 ' ' LEU . 1.3 m -64.97 -47.46 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.01 109.291 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.882 ' CG ' HD11 ' A' 2031 ' ' LEU . 18.7 m-85 -62.95 -29.37 70.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 70.44 110.991 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' 2105 ' ' TYR . 32.0 ttm180 -74.82 -31.74 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.31 110.303 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -71.75 -51.47 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 74.42 110.35 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.591 HG22 ' HE1' ' A' 2070 ' ' PHE . 18.8 pt -45.26 -31.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 71.43 109.331 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -46.08 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 70.42 109.937 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.12 136.42 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 75.53 109.381 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 73.2 110.266 179.963 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . 0.441 ' HG3' HD12 ' A' 2016 ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.575 0.226 . . . . 63.14 111.027 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -17.28 13.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 75.42 110.294 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' 2014 ' ' MET . 0.1 OUTLIER 62.19 143.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 61.02 109.314 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . . . . . . . . . 4.6 tt -58.96 176.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 43.34 109.259 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -147.28 127.73 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 75.1 110.313 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.673 HG21 HD13 ' A' 2022 ' ' LEU . 2.3 p -40.22 139.19 1.06 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 71.23 109.253 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.578 ' HD2' HG23 ' A' 2019 ' ' VAL . 18.3 Cg_endo -75.0 -39.87 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.424 1.75 . . . . 74.03 111.024 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.475 ' O ' HD12 ' A' 2021 ' ' ILE . 1.7 pp -112.63 95.1 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.545 1.153 . . . . 54.21 109.262 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.673 HD13 HG21 ' A' 2019 ' ' VAL . 0.2 OUTLIER -169.96 -178.56 2.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 52.42 109.315 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.614 ' CE3' ' SD ' ' A' 2058 ' ' MET . 1.1 m0 -76.39 -50.15 14.92 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.019 -1.104 . . . . 74.52 108.019 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . . . . . . . . . 2.3 m170 -47.89 -22.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 61.5 109.643 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' 2023 ' ' TRP . 53.1 tp10 -73.15 -36.22 66.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 73.13 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.6 ' CE ' ' HE3' ' A' 2058 ' ' MET . 0.0 OUTLIER -71.97 -32.7 67.5 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.512 1.133 . . . . 73.4 110.99 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.694 ' CZ3' HG11 ' A' 2107 ' ' VAL . 82.5 m95 -71.95 -51.86 19.99 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.545 1.153 . . . . 62.43 108.046 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' 2032 ' ' GLU . 1.2 t60 -52.56 -60.08 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 64.21 109.648 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' 2032 ' ' GLU . 10.3 pt-20 -67.93 -31.17 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 75.21 110.275 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' 2026 ' ' MET . . . -58.5 -66.55 2.73 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 45.53 111.029 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 0.997 HD22 ' CH2' ' A' 2101 ' ' TRP . 6.3 mt -61.22 -30.14 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 60.51 109.317 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . 0.5 ' HG2' ' N ' ' A' 2033 ' ' GLU . 0.0 OUTLIER -53.64 -49.53 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.185 . . . . 51.33 110.357 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.5 ' N ' ' HG2' ' A' 2032 ' ' GLU . 3.2 tt0 -72.34 -49.98 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 75.02 110.351 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.753 ' HA ' HD12 ' A' 2037 ' ' LEU . . . -54.84 -48.17 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 62.22 109.18 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . . . . . . . . . 8.6 t -57.31 -48.19 79.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 64.35 110.059 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' 2040 ' ' GLY . 0.0 OUTLIER -53.1 -37.96 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 72.22 110.33 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' 2034 ' ' ALA . 1.8 mt -70.86 -36.67 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 72.1 109.281 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.421 ' O ' ' O ' ' A' 2041 ' ' GLU . 49.9 t80 -74.91 -55.24 5.99 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 72.24 110.99 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -73.42 -46.76 46.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 74.21 111.09 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' 2036 ' ' ARG . . . -65.89 -55.65 18.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 74.31 111.023 179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.424 ' HG2' ' CZ ' ' A' 2042 ' ' ARG . 0.7 OUTLIER -115.62 -154.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.776 . . . . 62.51 110.312 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.462 ' N ' ' HD3' ' A' 2042 ' ' ARG . 0.0 OUTLIER -132.96 6.37 3.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.433 1.083 . . . . 72.51 110.282 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -73.38 85.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 73.14 109.396 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.691 HG12 ' CD2' ' A' 2048 ' ' PHE . 12.5 t -61.78 -12.69 7.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.407 1.067 . . . . 74.44 109.293 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -72.19 -40.94 67.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 62.02 109.324 -179.933 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.428 ' C ' HD13 ' A' 2037 ' ' LEU . . . -54.72 -57.39 17.99 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.541 1.151 . . . . 55.35 110.985 179.919 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.536 ' CB ' ' HB1' ' A' 2034 ' ' ALA . 0.2 OUTLIER -56.83 -49.35 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 73.41 111.024 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.691 ' CD2' HG12 ' A' 2044 ' ' VAL . 2.0 m-85 -61.64 -34.94 76.56 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 74.51 111.065 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.515 ' O ' ' CD ' ' A' 2053 ' ' PRO . 4.6 mm-40 -76.89 -14.53 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 71.2 110.282 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.993 ' O ' HD22 ' A' 2054 ' ' LEU . 2.9 t -85.54 -42.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 65.05 109.358 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -78.03 -43.86 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 72.2 109.293 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.482 ' N ' ' CD ' ' A' 2053 ' ' PRO . 0.0 OUTLIER -37.12 -52.96 2.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.386 1.054 . . . . 74.05 110.387 179.913 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.604 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -74.97 -51.1 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.323 1.696 . . . . 63.51 110.939 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' 2050 ' ' VAL . 0.0 OUTLIER -48.04 -55.83 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 54.52 109.367 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' 2051 ' ' LEU . 41.3 m170 -62.07 -48.44 80.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.12 109.597 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -53.84 -50.73 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 65.53 109.27 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' 2061 ' ' GLY . 0.0 OUTLIER -51.41 -37.62 49.36 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.43 1.081 . . . . 53.41 111.055 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.614 ' SD ' ' CE3' ' A' 2023 ' ' TRP . 0.7 OUTLIER -66.56 -40.65 89.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 75.1 111.022 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.94 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 62.21 110.421 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 2056 ' ' ALA . 0.0 OUTLIER -65.65 -39.19 91.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 72.43 110.31 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' 2057 ' ' MET . . . -117.58 81.75 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 55.02 111.068 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.489 ' O ' ' CZ2' ' A' 2023 ' ' TRP . 18.1 Cg_endo -74.98 -94.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 62.33 110.984 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.37 -82.87 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.368 1.042 . . . . 72.53 110.241 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' 2068 ' ' THR . 7.5 t -155.27 167.14 31.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.5 110.459 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -27.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 63.43 109.281 -179.885 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . 0.454 ' H ' HG23 ' A' 2064 ' ' THR . 10.3 tttt -74.13 -41.52 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 75.04 109.352 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' 2064 ' ' THR . 3.0 tp10 -81.96 -19.59 40.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 64.43 110.229 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' 2064 ' ' THR . 6.1 m -56.71 -27.36 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 63.34 110.384 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 18.0 t -68.71 -52.16 33.79 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 75.33 109.954 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' 2070 ' ' PHE . 5.9 t80 -63.94 -53.81 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.34 111.017 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' 2075 ' ' GLY . 13.2 t-20 -50.31 -35.18 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 65.53 109.339 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.29 -55.2 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.01 110.326 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -43.29 -41.81 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 52.42 109.288 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.749 ' HD2' HG13 ' A' 2107 ' ' VAL . 5.2 m-85 -93.98 -32.86 13.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 63.34 111.056 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -45.46 -25.87 1.44 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 75.34 110.959 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -80.97 -35.42 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 64.54 110.333 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' 2074 ' ' TYR . 20.9 m-20 -67.03 -60.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 73.13 109.257 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.655 ' N ' HD13 ' A' 2078 ' ' LEU . 0.1 OUTLIER -52.27 -45.54 65.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 73.34 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . . . . . . . . . 1.5 mtp -51.66 -50.53 60.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.553 1.158 . . . . 70.3 111.013 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.91 -56.73 14.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 74.11 110.358 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.862 ' HB2' ' HB2' ' A' 2103 ' ' LEU . . . -54.31 -40.71 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.33 109.271 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 64.3 110.266 -179.855 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.58 76.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 72.1 110.298 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.52 ' CZ3' ' HE3' ' A' 2087 ' ' LYS . 78.4 m95 -66.81 -35.08 79.23 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.521 1.138 . . . . 65.31 108.017 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.617 ' SG ' ' CE1' ' A' 2048 ' ' PHE . 22.4 t -65.16 -52.23 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 71.53 108.304 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -40.19 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 74.02 110.352 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.52 ' HE3' ' CZ3' ' A' 2084 ' ' TRP . 0.1 OUTLIER -67.33 -32.28 73.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 75.11 109.297 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' 2097 ' ' LEU . 4.3 t80 -78.95 -47.9 15.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.388 1.055 . . . . 71.33 111.051 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 6.1 mmm -58.01 -34.87 70.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 75.4 110.999 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -56.13 3.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 63.21 109.269 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' 2087 ' ' LYS . 3.3 t -72.52 -67.09 0.58 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 73.24 110.012 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 99.58 88.13 1.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.586 1.179 . . . . 73.53 111.053 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.41 125.35 11.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.574 0.808 . . . . 73.21 109.234 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 4.0 p -60.41 -42.83 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 72.54 109.339 179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.64 -47.13 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 72.21 109.217 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' 2096 ' ' ASP . 1.7 t0 -66.62 -40.97 89.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 63.41 109.381 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' 2097 ' ' LEU . 1.7 tp -62.17 -45.61 92.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 70.21 109.303 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 9.7 m -58.25 -48.35 80.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 44.31 110.38 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -46.1 77.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.623 1.202 . . . . 72.02 110.334 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' 2103 ' ' LEU . . . -56.83 -42.86 80.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.43 109.28 -179.915 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.997 ' CH2' HD22 ' A' 2031 ' ' LEU . 0.0 OUTLIER -66.89 -29.48 69.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 72.22 108.026 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -50.74 70.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 73.53 109.189 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.862 ' HB2' ' HB2' ' A' 2081 ' ' ALA . 2.3 mt -59.38 -52.65 64.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 74.12 109.331 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . 0.445 ' CE1' ' CE1' ' A' 2055 ' ' HIS . 16.6 m-85 -56.74 -51.67 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 71.4 110.939 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' 2109 ' ' ARG . 1.1 t80 -47.35 -45.62 24.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.02 111.007 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.17 99.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 65.51 109.642 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' 2074 ' ' TYR . 2.2 t -62.62 -58.26 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.067 . . . . 63.11 109.28 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 0.854 ' CG ' HD12 ' A' 2031 ' ' LEU . 52.3 m-85 -63.97 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 73.01 111.005 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' 2105 ' ' TYR . 0.0 OUTLIER -77.06 -43.56 33.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 72.45 110.3 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -52.18 66.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 71.3 110.308 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.563 ' CD1' ' CB ' ' A' 2027 ' ' TRP . 23.6 pt -44.02 -31.63 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 72.54 109.311 179.921 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 35.6 m -83.47 -50.06 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 64.52 110.016 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 120.94 4.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.31 109.269 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 73.52 110.283 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2014 ' ' MET . . . . . . . . . . . . . 2.2 mtm . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.563 0.22 . . . . 71.33 111.0 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A 2015 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.28 -3.19 16.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 73.1 110.384 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2016 ' ' LEU . . . . . 0.499 ' HB3' HD12 ' A' 2017 ' ' ILE . 1.6 mp -88.84 165.37 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.631 1.207 . . . . 71.41 109.308 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2017 ' ' ILE . . . . . 0.829 HG21 ' HB3' ' A' 2066 ' ' LYS . 3.8 mp 62.01 138.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 64.41 109.313 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2018 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.59 169.97 19.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 75.42 110.259 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2019 ' ' VAL . . . . . 0.783 HG21 ' N ' ' A' 2023 ' ' TRP . 0.1 OUTLIER -52.05 139.28 34.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 64.23 109.241 -179.954 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2020 ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' 2019 ' ' VAL . 18.3 Cg_endo -74.98 -41.9 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.769 . . . . 74.42 111.016 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2021 ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' 2022 ' ' LEU . 23.6 mm -94.05 -82.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.596 1.185 . . . . 61.35 109.35 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2022 ' ' LEU . . . . . 0.711 HD22 ' HB2' ' A' 2025 ' ' GLU . 0.5 OUTLIER 176.87 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.642 1.214 . . . . 64.31 109.251 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2023 ' ' TRP . . . . . 0.783 ' N ' HG21 ' A' 2019 ' ' VAL . 18.9 m0 -79.74 -46.47 16.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 72.2 108.016 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2024 ' ' HIS . . . . . 0.462 ' CD2' ' H ' ' A' 2024 ' ' HIS . 2.6 m170 -48.51 -23.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.31 109.554 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2025 ' ' GLU . . . . . 0.711 ' HB2' HD22 ' A' 2022 ' ' LEU . 5.6 tp10 -65.62 -33.23 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 64.03 110.242 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2026 ' ' MET . . . . . 0.791 ' HB2' HD22 ' A' 2054 ' ' LEU . 0.4 OUTLIER -78.83 -35.91 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 70.31 110.855 -179.833 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2027 ' ' TRP . . . . . 0.567 ' CB ' ' CD1' ' A' 2111 ' ' ILE . 64.0 m95 -67.64 -39.79 84.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 75.12 107.944 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2028 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -59.33 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.088 . . . . 75.02 109.594 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2029 ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' 2030 ' ' GLY . 0.1 OUTLIER -62.76 -36.4 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 64.33 110.338 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2030 ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' 2026 ' ' MET . . . -61.14 -64.66 3.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 65.41 111.019 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2031 ' ' LEU . . . . . 1.095 HD22 ' CD2' ' A' 2108 ' ' PHE . 2.4 tp -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 74.54 109.344 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2032 ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -55.58 -52.32 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 74.32 110.213 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2033 ' ' GLU . . . . . 0.403 ' HA ' ' HB2' ' A' 2036 ' ' ARG . 0.0 OUTLIER -73.27 -52.11 15.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 75.43 110.259 -179.88 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2034 ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' 2047 ' ' MET . . . -53.97 -50.74 65.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 24.31 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2035 ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' 2031 ' ' LEU . 24.2 p -67.35 -32.18 72.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 62.21 110.045 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2036 ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' 2033 ' ' GLU . 0.5 OUTLIER -60.59 -52.62 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 75.02 110.316 -179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2037 ' ' LEU . . . . . 0.573 ' CD1' ' O ' ' A' 2043 ' ' ASN . 1.3 pp -72.26 -40.72 67.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 71.04 109.341 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2038 ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' 2101 ' ' TRP . 38.9 t80 -57.34 -55.39 35.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 72.33 111.088 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2039 ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' 2035 ' ' SER . 12.7 m-85 -71.51 -43.52 66.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.133 . . . . 72.21 110.905 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2040 ' ' GLY . . . . . 0.606 ' O ' ' CB ' ' A' 2041 ' ' GLU . . . -68.27 -69.55 1.35 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 73.25 110.983 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2041 ' ' GLU . . . . . 0.606 ' CB ' ' O ' ' A' 2040 ' ' GLY . 13.4 tt0 150.97 133.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 72.11 110.333 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2042 ' ' ARG . . . . . 0.538 ' O ' ' CB ' ' A' 2043 ' ' ASN . 0.0 OUTLIER 173.58 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 72.11 110.225 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2043 ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' 2037 ' ' LEU . 2.0 m-20 153.73 170.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.559 1.162 . . . . 63.23 109.191 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2044 ' ' VAL . . . . . 0.534 ' CG1' ' CE1' ' A' 2048 ' ' PHE . 3.1 t -83.1 -28.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 60.52 109.332 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2045 ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' 2049 ' ' GLU . 0.0 OUTLIER -55.5 -34.27 64.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 42.14 109.315 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.764 ' O ' HG23 ' A' 2050 ' ' VAL . . . -50.32 -52.32 28.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.579 1.174 . . . . 74.13 111.072 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2047 ' ' MET . . . . . 0.556 ' O ' ' HG ' ' A' 2051 ' ' LEU . 26.2 ttp -67.75 -54.99 14.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 52.24 111.043 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2048 ' ' PHE . . . . . 0.534 ' CE1' ' CG1' ' A' 2044 ' ' VAL . 22.4 m-85 -52.66 -49.52 65.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 74.33 111.01 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2049 ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' 2046 ' ' GLY . 0.0 OUTLIER -67.02 -17.61 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.14 110.38 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2050 ' ' VAL . . . . . 0.781 HG12 HD23 ' A' 2051 ' ' LEU . 2.9 t -84.79 -44.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 72.21 109.321 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.807 HD23 ' N ' ' A' 2051 ' ' LEU . 0.2 OUTLIER -78.19 -42.1 32.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 73.42 109.26 -179.903 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2052 ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' 2048 ' ' PHE . 0.9 OUTLIER -37.24 -54.24 2.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 71.23 110.328 179.917 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2053 ' ' PRO . . . . . 0.586 ' HD2' ' C ' ' A' 2050 ' ' VAL . 18.3 Cg_endo -75.09 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.398 1.736 . . . . 75.52 110.996 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.791 HD22 ' HB2' ' A' 2026 ' ' MET . 36.8 mt -49.0 -56.42 9.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 74.33 109.341 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2055 ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' 2051 ' ' LEU . 34.3 m170 -59.74 -50.68 72.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 75.02 109.638 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2056 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' A' 2060 ' ' ARG . . . -51.43 -50.66 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 52.11 109.311 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2057 ' ' MET . . . . . 0.478 ' HE2' ' SD ' ' A' 2026 ' ' MET . 0.0 OUTLIER -50.42 -39.19 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 74.53 110.938 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2058 ' ' MET . . . . . 0.758 ' HE3' ' SD ' ' A' 2026 ' ' MET . 0.1 OUTLIER -66.93 -35.32 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.14 111.044 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2059 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 2055 ' ' HIS . 5.2 mm-40 -74.16 -63.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.11 110.308 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2060 ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' 2056 ' ' ALA . 1.4 ptt85 -72.38 -8.84 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 65.12 110.213 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2061 ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' 2057 ' ' MET . . . -129.62 62.75 0.64 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.167 . . . . 70.52 110.954 -179.889 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2062 ' ' PRO . . . . . 0.438 ' HD3' ' C ' ' A' 2060 ' ' ARG . 18.6 Cg_endo -74.96 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 74.13 111.012 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2063 ' ' GLN . . . . . 0.482 ' HB3' ' CB ' ' A' 2067 ' ' GLU . 0.0 OUTLIER -132.96 -68.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 63.14 110.262 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2064 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.38 164.65 4.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 61.34 110.319 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2065 ' ' LEU . . . . . 0.606 ' O ' HD13 ' A' 2065 ' ' LEU . 0.3 OUTLIER -49.55 -27.98 5.05 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 73.44 109.332 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2066 ' ' LYS . . . . . 0.829 ' HB3' HG21 ' A' 2017 ' ' ILE . 0.1 OUTLIER -70.96 -42.81 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.628 1.205 . . . . 70.34 109.278 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2067 ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' 2063 ' ' GLN . 18.9 tp10 -75.65 -22.12 57.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 64.43 110.373 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2068 ' ' THR . . . . . 0.438 HG22 ' NE2' ' A' 2072 ' ' GLN . 20.2 m -54.47 -27.11 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 74.53 110.372 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2069 ' ' SER . . . . . . . . . . . . . 7.4 m -53.98 -43.71 70.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 72.35 109.983 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2070 ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' 2071 ' ' ASN . 0.7 OUTLIER -69.81 -53.83 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.33 111.038 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2071 ' ' ASN . . . . . 0.515 ' N ' ' CD1' ' A' 2070 ' ' PHE . 60.8 t-20 -48.63 -36.22 15.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 25.13 109.263 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2072 ' ' GLN . . . . . 0.438 ' NE2' HG22 ' A' 2068 ' ' THR . 34.1 mt-30 -78.74 -45.35 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 72.01 110.273 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2073 ' ' ALA . . . . . . . . . . . . . . . -44.37 -34.75 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 50.3 109.271 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2074 ' ' TYR . . . . . 0.951 ' OH ' HG23 ' A' 2111 ' ' ILE . 71.0 m-85 -108.55 -27.45 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 71.22 110.961 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2075 ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' 2071 ' ' ASN . . . -41.71 -26.53 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.575 1.172 . . . . 50.3 110.987 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2076 ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' 2074 ' ' TYR . 0.3 OUTLIER -80.57 -46.6 15.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 64.21 110.314 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2077 ' ' ASP . . . . . 0.469 ' HB2' ' CG2' ' A' 2107 ' ' VAL . 9.3 m-20 -66.13 -50.68 63.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 42.04 109.379 179.893 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2078 ' ' LEU . . . . . 0.763 HD13 ' HB3' ' A' 2074 ' ' TYR . 11.1 mp -54.54 -40.76 68.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 74.23 109.238 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2079 ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' 2075 ' ' GLY . 0.1 OUTLIER -58.38 -49.48 77.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 64.45 111.06 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2080 ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.22 -48.99 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 70.42 110.359 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2081 ' ' ALA . . . . . 0.599 ' HB2' ' CB ' ' A' 2103 ' ' LEU . . . -58.14 -43.92 87.54 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.55 1.156 . . . . 63.33 109.196 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' 2078 ' ' LEU . 1.0 OUTLIER -64.53 -32.2 73.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 74.14 110.355 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2083 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -35.29 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.317 1.011 . . . . 74.23 110.277 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2084 ' ' TRP . . . . . 0.729 ' CB ' ' HB2' ' A' 2100 ' ' ALA . 89.1 m95 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.876 -1.157 . . . . 72.5 107.876 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2085 ' ' CYS . . . . . 0.424 ' HB3' ' CE2' ' A' 2048 ' ' PHE . 0.9 OUTLIER -68.61 -51.59 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.344 1.027 . . . . 74.33 108.272 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2086 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -46.89 87.17 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.52 1.137 . . . . 72.34 110.306 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2087 ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' 2091 ' ' SER . 0.0 OUTLIER -57.71 -39.11 76.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 63.42 109.22 -179.917 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2088 ' ' TYR . . . . . 0.815 ' CZ ' HD12 ' A' 2097 ' ' LEU . 1.5 t80 -71.15 -40.22 71.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.15 110.995 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2089 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -39.05 83.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 63.15 110.989 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.93 -53.8 4.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.4 109.241 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2091 ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' 2087 ' ' LYS . 7.4 t -65.33 -67.21 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 72.24 109.98 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2092 ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' 2088 ' ' TYR . . . 98.16 90.96 1.95 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.449 1.093 . . . . 75.42 110.918 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2093 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.53 108.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 0.836 . . . . 72.14 109.312 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2094 ' ' VAL . . . . . . . . . . . . . 5.9 t -45.94 -41.04 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 72.13 109.277 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2095 ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -49.67 -42.21 44.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.631 1.207 . . . . 73.44 109.253 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2096 ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -69.92 -40.68 75.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 52.15 109.309 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.815 HD12 ' CZ ' ' A' 2088 ' ' TYR . 0.3 OUTLIER -63.37 -43.62 97.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 61.01 109.267 -179.905 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -46.05 92.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 54.42 110.397 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2099 ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.68 -43.75 97.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 72.34 110.323 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' 2084 ' ' TRP . . . -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 61.2 109.359 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2101 ' ' TRP . . . . . 0.56 ' CD1' ' CZ ' ' A' 2038 ' ' TYR . 0.4 OUTLIER -62.46 -30.54 71.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 65.31 107.986 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2102 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -49.72 61.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 63.41 109.31 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2103 ' ' LEU . . . . . 0.599 ' CB ' ' HB2' ' A' 2081 ' ' ALA . 25.0 mt -54.0 -51.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 55.03 109.29 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2104 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.72 -45.66 89.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 73.11 110.893 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2105 ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' 2109 ' ' ARG . 0.8 OUTLIER -50.45 -47.93 56.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 60.33 111.002 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2106 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -45.21 95.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 72.32 109.601 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2107 ' ' VAL . . . . . 0.833 HG22 ' HD1' ' A' 2074 ' ' TYR . 2.4 t -57.21 -55.78 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 62.52 109.256 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2108 ' ' PHE . . . . . 1.095 ' CD2' HD22 ' A' 2031 ' ' LEU . 8.2 m-85 -65.75 -27.39 68.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.371 1.044 . . . . 74.31 110.971 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2109 ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' 2105 ' ' TYR . 0.1 OUTLIER -74.03 -24.54 59.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 74.4 110.3 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2110 ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.37 -50.25 12.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.598 1.186 . . . . 75.02 110.322 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2111 ' ' ILE . . . . . 0.951 HG23 ' OH ' ' A' 2074 ' ' TYR . 0.6 OUTLIER -60.09 -26.75 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 73.3 109.3 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 2112 ' ' SER . . . . . . . . . . . . . 18.0 t -82.2 -51.72 7.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.634 1.209 . . . . 72.31 110.047 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 2113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.01 136.61 2.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 74.14 109.376 179.825 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 2114 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.408 1.067 . . . . 72.31 110.286 -179.998 . . . . . . . . 1 1 . 1 stop_ save_